5KRY
1-deoxy-D-xylulose 5-phosphate reductoisomerase from Vibrio vulnificus
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-BM |
| Synchrotron site | APS |
| Beamline | 22-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-10-17 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 1.000 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 64.356, 149.853, 246.008 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.300 |
| R-factor | 0.18663 |
| Rwork | 0.185 |
| R-free | 0.22452 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 5kqo |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.661 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | HKL-3000 |
| Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.340 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.070 | 0.668 |
| Number of reflections | 53399 | |
| <I/σ(I)> | 21 | 2.1 |
| Completeness [%] | 99.9 | 99.8 |
| Redundancy | 8.1 | 7.4 |
| CC(1/2) | 0.859 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | 1.0 M Succinic acid pH 7.0, 0.1 M HEPES pH 7.0, 1% w/v PEG 2000 |
