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 |
