5KRR
1-deoxy-D-xylulose 5-phosphate reductoisomerase from Vibrio vulnificus in complex with Mn(2+)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-06-21 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97915 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 64.840, 149.084, 242.512 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.500 |
| R-factor | 0.19367 |
| Rwork | 0.192 |
| R-free | 0.22997 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 5kqo |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.677 |
| 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 | 2.540 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.092 | 0.367 |
| Number of reflections | 38225 | |
| <I/σ(I)> | 16.9 | 2.9 |
| Completeness [%] | 93.4 | 91.3 |
| Redundancy | 5.3 | 5.4 |
| CC(1/2) | 0.917 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 293 | 0.1 M Sodium citrate pH 5.5, 0.8 M Ammonium phosphate, 0.2 M NaCl |
