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 |