CRYSTAL STRUCTURE OF Fox-4 cephamycinase mutant Y150F complexed with cefoxitin
Components
Beta-lactamase
Keywords
HYDROLASE / beta-lactamase
Function / homology
Function and homology information
antibiotic catabolic process / beta-lactamase activity / beta-lactamase / outer membrane-bounded periplasmic space / response to antibiotic / metal ion binding Similarity search - Function
Beta-lactamase, class-C active site / Beta-lactamase class-C active site. / Beta-lactamase-related / Beta-lactamase / Beta-lactamase / DD-peptidase/beta-lactamase superfamily / Beta-lactamase/transpeptidase-like / 3-Layer(aba) Sandwich / Alpha Beta Similarity search - Domain/homology
Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
Wavelength: 0.9791 Å / Relative weight: 1
Reflection
Redundancy: 3.7 % / Number: 355116 / Rmerge(I) obs: 0.07 / Rsym value: 0.07 / D res high: 1.21 Å / D res low: 19.676 Å / Num. obs: 96864 / % possible obs: 95.4
Diffraction reflection shell
Highest resolution (Å)
Lowest resolution (Å)
ID
Rmerge(I) obs
Rsym value
Redundancy
3.83
19.68
1
0.033
0.033
3.6
2.71
3.83
1
0.037
0.037
3.8
2.21
2.71
1
0.057
0.057
3.8
1.91
2.21
1
0.081
0.081
3.8
1.71
1.91
1
0.105
0.105
3.8
1.56
1.71
1
0.139
0.139
3.7
1.45
1.56
1
0.218
0.218
3.6
1.35
1.45
1
0.36
0.36
3.6
1.28
1.35
1
0.508
0.508
3.6
1.21
1.28
1
0.739
0.739
3.6
Reflection
Resolution: 1.21→19.676 Å / Num. obs: 96864 / % possible obs: 95.4 % / Redundancy: 3.7 % / Biso Wilson estimate: 11.41 Å2 / Rmerge(I) obs: 0.07 / Rsym value: 0.07 / Net I/av σ(I): 7.16 / Net I/σ(I): 6.4 / Num. measured all: 355116
Reflection shell
Diffraction-ID: 1 / Rejects: _
Resolution (Å)
Redundancy (%)
Rmerge(I) obs
Mean I/σ(I) obs
Num. measured all
Num. unique all
Rsym value
Net I/σ(I) obs
% possible all
1.21-1.28
3.6
0.739
1
48683
13617
0.739
1.6
92.2
1.28-1.35
3.6
0.508
1.5
46623
13059
0.508
2.3
93.2
1.35-1.45
3.6
0.36
2.1
44640
12416
0.36
3.2
94.6
1.45-1.56
3.6
0.218
3.5
42478
11659
0.218
4.9
95.5
1.56-1.71
3.7
0.139
5.3
40388
10870
0.139
6.8
96.4
1.71-1.91
3.8
0.105
6.5
37417
9945
0.105
8.6
97.4
1.91-2.21
3.8
0.081
7.9
33308
8814
0.081
11
97.8
2.21-2.71
3.8
0.057
11.1
28448
7539
0.057
12.5
98.4
2.71-3.83
3.8
0.037
16.3
21955
5843
0.037
13.6
98.6
3.83-19.676
3.6
0.033
18.4
11176
3102
0.033
13.5
93.4
-
Phasing
Phasing
Method: molecular replacement
Phasing MR
Model details: Phaser MODE: MR_AUTO
Highest resolution
Lowest resolution
Rotation
2.5 Å
19.64 Å
Translation
2.5 Å
19.64 Å
-
Processing
Software
Name
Version
Classification
PHASER
2.5.6
phasing
PHENIX
refinement
PDB_EXTRACT
3.15
dataextraction
MOSFLM
datareduction
SCALA
datascaling
PHASER
phasing
Refinement
Method to determine structure: MOLECULAR REPLACEMENT Starting model: PDB 5CGS
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