Component-ID: _ / Beg auth comp-ID: ASP / Beg label comp-ID: ASP / End auth comp-ID: ALA / End label comp-ID: ALA / Refine code: _ / Auth seq-ID: 3 - 88 / Label seq-ID: 23 - 108
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
B
B
2
3
C
C
NCS ensembles :
ID
1
2
3
-
Components
#1: Protein
Bacterialmicrocompartmentsfamilyprotein
Mass: 11776.442 Da / Num. of mol.: 3 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Aeromonas hydrophila subsp. hydrophila (bacteria) Strain: ATCC 7966 / NCIB 9240 / Gene: AHA_1335 / Plasmid: pET14b / Production host: Escherichia coli (E. coli) / Strain (production host): BL21 (DE3) / References: UniProt: A0KHX4
Resolution: 2.298→2.36 Å / Redundancy: 5.7 % / Rmerge(I) obs: 0.199 / Mean I/σ(I) obs: 7.85 / % possible all: 14.8
-
Phasing
Phasing
Method: molecular replacement
Phasing MR
R rigid body: 0.603
Highest resolution
Lowest resolution
Rotation
61.18 Å
2.54 Å
-
Processing
Software
Name
Version
Classification
NB
DENZO
datareduction
SCALEPACK
datascaling
MOLREP
phasing
REFMAC
5.8.0073
refinement
PDB_EXTRACT
3.14
dataextraction
ADSC
Quantum
datacollection
Refinement
Method to determine structure: MOLECULAR REPLACEMENT / Resolution: 2.3→61.17 Å / Cor.coef. Fo:Fc: 0.893 / Cor.coef. Fo:Fc free: 0.838 / SU B: 8.513 / SU ML: 0.216 / Cross valid method: THROUGHOUT / ESU R Free: 0.399 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.27541
327
4.8 %
RANDOM
Rwork
0.22131
-
-
-
obs
0.22381
6508
63.97 %
-
all
-
6835
-
-
Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: MASK