8B61
Crystal structure of BfrC protein from Bacteroides fragilis NCTC 9343
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I24 |
Synchrotron site | Diamond |
Beamline | I24 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-09-26 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.99 |
Spacegroup name | P 2 21 21 |
Unit cell lengths | 52.075, 89.840, 99.056 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 66.550 - 1.810 |
R-factor | 0.20378 |
Rwork | 0.201 |
R-free | 0.25069 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | alpha fold |
RMSD bond length | 0.013 |
RMSD bond angle | 1.697 |
Data reduction software | xia2 |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 66.550 | 1.840 |
High resolution limit [Å] | 1.810 | 1.810 |
Rmerge | 0.150 | 1.421 |
Rmeas | 0.178 | 1.800 |
Rpim | 0.071 | 0.871 |
Number of reflections | 43116 | 2286 |
<I/σ(I)> | 6.1 | 0.7 |
Completeness [%] | 99.4 | 91.6 |
Redundancy | 6 | 3.9 |
CC(1/2) | 0.996 | 0.372 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 0.02 M M Magnesium chloride hexahydrate, 0.1M HEPES at pH 7.5 and 22 % w/v Poly acrylic acid sodium salt 5100 |