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 |