4ZQH
Crystal structure of DOX-P Reductoisomerase in complex with NADPH, fosmidomycin and magnesium
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-03-15 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 65 |
| Unit cell lengths | 65.719, 65.719, 391.454 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 65.240 - 2.400 |
| R-factor | 0.20405 |
| Rwork | 0.202 |
| R-free | 0.24297 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.423 |
| Data reduction software | iMOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 130.500 |
| High resolution limit [Å] | 2.400 |
| Number of reflections | 37310 |
| <I/σ(I)> | 11.2 |
| Completeness [%] | 100.0 |
| Redundancy | 13.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 291 | 0.1 M CHES pH 9.5, 23% (w/v) PEG 8000 |
