3FNA
Crystal structure of the CBS pair of possible D-arabinose 5-phosphate isomerase yrbH from Escherichia coli CFT073
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-BM |
Synchrotron site | APS |
Beamline | 19-BM |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-12-13 |
Detector | CUSTOM-MADE |
Wavelength(s) | 0.97937, 0.97923 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 50.109, 108.458, 104.849 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.000 - 2.100 |
R-factor | 0.213 |
Rwork | 0.211 |
R-free | 0.24300 |
Structure solution method | MAD |
RMSD bond length | 0.015 |
RMSD bond angle | 1.562 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | MLPHARE |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.070 |
High resolution limit [Å] | 2.030 | 2.030 |
Rmerge | 0.093 | 0.587 |
Number of reflections | 18777 | |
<I/σ(I)> | 45.14 | |
Completeness [%] | 99.2 | 99.8 |
Redundancy | 9.6 | 9.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 9.5 | 291 | 0.1M CHES pH 9.5, 20% PEG 8000, VAPOR DIFFUSION, SITTING DROP, temperature 291K |