3KR6
MurA dead-end complex with fosfomycin
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 93 |
Detector technology | IMAGE PLATE |
Collection date | 2008-12-07 |
Detector | RIGAKU RAXIS HTC |
Wavelength(s) | 1.542 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 64.400, 61.800, 134.400 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 1.700 |
Rwork | 0.160 |
R-free | 0.18800 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1ryw |
RMSD bond length | 0.011 |
RMSD bond angle | 1.500 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | CNS |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 1.800 |
High resolution limit [Å] | 1.700 | 1.700 |
Rmerge | 0.033 | 0.092 |
Number of reflections | 59154 | |
<I/σ(I)> | 27.7 | 15.2 |
Completeness [%] | 99.0 | 95.9 |
Redundancy | 4.9 | 4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 292 | 12.5 mM Na-formate, 25 mM Na/K phosphate, 10% PEG 3350, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 292K |