Component-ID: _ / Beg auth comp-ID: MET / Beg label comp-ID: MET / End auth comp-ID: SER / End label comp-ID: SER / Refine code: _ / Auth seq-ID: 1 - 328 / Label seq-ID: 1 - 328
Dom-ID
Ens-ID
Auth asym-ID
Label asym-ID
1
1
A
A
2
1
B
B
1
2
A
A
2
2
C
C
1
3
A
A
2
3
D
D
1
4
A
A
2
4
E
E
1
5
A
A
2
5
F
F
1
6
B
B
2
6
C
C
1
7
B
B
2
7
D
D
1
8
B
B
2
8
E
E
1
9
B
B
2
9
F
F
1
10
C
C
2
10
D
D
1
11
C
C
2
11
E
E
1
12
C
C
2
12
F
F
1
13
D
D
2
13
E
E
1
14
D
D
2
14
F
F
1
15
E
E
2
15
F
F
NCS ensembles :
ID
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
-
Components
#1: Protein
L-asparaginase
Mass: 35715.996 Da / Num. of mol.: 6 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Thermococcus kodakarensis (strain ATCC BAA-918 / JCM 12380 / KOD1) (archaea) Strain: ATCC BAA-918 / JCM 12380 / KOD1 / Gene: TK1656 / Production host: Escherichia coli (E. coli) / References: UniProt: Q5JIW4
Mass: 18.015 Da / Num. of mol.: 223 / Source method: isolated from a natural source / Formula: H2O
-
Experimental details
-
Experiment
Experiment
Method: X-RAY DIFFRACTION / Number of used crystals: 1
-
Sample preparation
Crystal
Density Matthews: 2.33 Å3/Da / Density % sol: 47.3 % Description: The crystal was a pentahedron composed of two equilateral triangular- and three rectangular-faces. Each side of the equilateral triangle is approximately 250 microns and the width of the ...Description: The crystal was a pentahedron composed of two equilateral triangular- and three rectangular-faces. Each side of the equilateral triangle is approximately 250 microns and the width of the rectangle is approximately 60 microns.
Crystal grow
Temperature: 294 K / Method: vapor diffusion, sitting drop / pH: 6.8 Details: 0.09 M NPS, 0.1 M buffer system 2, pH 6.5-7.0, 28.5% (v/v) EDO_P8K from the Morpheus kit PH range: 6.5-7.0
Resolution: 2.18→68.65 Å / Cor.coef. Fo:Fc: 0.964 / Cor.coef. Fo:Fc free: 0.951 / SU B: 18.688 / SU ML: 0.202 / Cross valid method: THROUGHOUT / ESU R: 0.3 / ESU R Free: 0.203 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.22391
4896
5 %
RANDOM
Rwork
0.19379
-
-
-
obs
0.19536
93578
97.5 %
-
Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: MASK