3Q8V
Crystal structure of Staphylococcus aureus nucleoside diphosphate kinase complexed with UDP
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2010-06-21 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 1.54 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 186.665, 72.916, 102.144 |
Unit cell angles | 90.00, 108.42, 90.00 |
Refinement procedure
Resolution | 32.300 - 2.500 |
R-factor | 0.23296 |
Rwork | 0.230 |
R-free | 0.28286 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3q83 |
RMSD bond length | 0.015 |
RMSD bond angle | 1.526 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 34.120 | 2.640 |
High resolution limit [Å] | 2.500 | 2.500 |
Rmerge | 0.090 | 0.333 |
Number of reflections | 45083 | |
<I/σ(I)> | 11.6 | 4.8 |
Completeness [%] | 99.6 | 99.1 |
Redundancy | 5.2 | 5.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Microbatch Crystallization | 7.2 | 298 | 0.1M Bis-Tris, pH 7.2, 30% PEG 3350, Microbatch Crystallization , temperature 298K |