2EGH
Crystal structure of 1-deoxy-D-xylulose 5-phosphate reductoisomerase complexed with a magnesium ion, NADPH and fosmidomycin
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE BL-6A |
Synchrotron site | Photon Factory |
Beamline | BL-6A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2004-03-11 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 1.0000 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 180.590, 59.115, 87.050 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.210 - 2.200 |
R-factor | 0.218 |
Rwork | 0.218 |
R-free | 0.22500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1jvs |
RMSD bond length | 0.010 |
RMSD bond angle | 1.900 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.280 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.104 | 0.682 |
Number of reflections | 90406 | |
<I/σ(I)> | 9.8 | 2.6 |
Completeness [%] | 98.3 | 98 |
Redundancy | 4.9 | 4.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 277 | 0.1M sodium citrate, 1M ammonium sulfate, 0.01M Na-K tarterate, 4.17mM DTT, 1mM MgCl2, 6.25mM NADPH, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 277K |