1Q0L
Crystal structure of DXR in complex with fosmidomycin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | ENRAF-NONIUS FR571 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2002-10-28 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 109.144, 109.144, 91.285 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 20.000 - 2.650 |
| R-factor | 0.21 |
| Rwork | 0.210 |
| R-free | 0.26000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1K5H (NADPH binding domain) |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.063 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.820 |
| High resolution limit [Å] | 2.650 | 2.650 |
| Rmerge | 0.143 | 0.440 |
| Number of reflections | 18451 | |
| <I/σ(I)> | 12.1 | 2.98 |
| Completeness [%] | 99.2 | 95.5 |
| Redundancy | 6.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Microbatch under oil | 6.5 | 298 | 25% P3350, 200mM Li2SO4, 100mM Bis-Tris pH 6.5, Microbatch under oil, temperature 298K |
