2RA8
Crystal structure of the Q64V53_BACFR protein from Bacteroides fragilis. Northeast Structural Genomics Consortium target BfR43
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X4A |
Synchrotron site | NSLS |
Beamline | X4A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-07-25 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.97922 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 108.261, 65.237, 60.008 |
Unit cell angles | 90.00, 111.13, 90.00 |
Refinement procedure
Resolution | 19.390 - 1.950 |
R-factor | 0.225 |
Rwork | 0.225 |
R-free | 0.24700 |
Structure solution method | SAD |
RMSD bond length | 0.008 |
RMSD bond angle | 1.300 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | SOLVE |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.020 |
High resolution limit [Å] | 1.950 | 1.950 |
Rmerge | 0.058 | 0.239 |
Number of reflections | 52396 | |
<I/σ(I)> | 14.35 | 2.25 |
Completeness [%] | 94.3 | 99.2 |
Redundancy | 1.9 | 1.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 291 | 16-18% PEG 3350, 0.2M Magnesium acetate, 0.1M Cacodylic acid pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K |