1RI6
Structure of a putative isomerase from E. coli
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 | 2003-10-07 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.9790 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 57.984, 61.590, 88.635 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.620 - 2.000 |
R-factor | 0.168 |
Rwork | 0.168 |
R-free | 0.20300 |
Structure solution method | SIR |
RMSD bond length | 0.005 |
RMSD bond angle | 1.400 |
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] | 20.000 | 2.070 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.121 | |
Number of reflections | 22289 | |
<I/σ(I)> | 4.2 | |
Completeness [%] | 98.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 291 | 17.5% PEG 4k 0.1M Na Cacodylate 6.5 5% Ethylene Glycol , VAPOR DIFFUSION, HANGING DROP, temperature 291K |