3Q86
Crystal structure of Staphylococcus aureus nucleoside diphosphate kinase complexed with GTP
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | BRUKER AXS MICROSTAR |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2010-05-05 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 1.54 |
Spacegroup name | H 3 |
Unit cell lengths | 75.302, 75.302, 154.712 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 37.650 - 2.380 |
R-factor | 0.16877 |
Rwork | 0.166 |
R-free | 0.22011 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3q83 |
RMSD bond length | 0.020 |
RMSD bond angle | 1.926 |
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] | 37.650 | 2.480 |
High resolution limit [Å] | 2.360 | 2.360 |
Rmerge | 0.030 | 0.081 |
Number of reflections | 13104 | |
<I/σ(I)> | 46.4 | 20.4 |
Completeness [%] | 96.8 | 78.5 |
Redundancy | 7.6 | 7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Microbatch Crystallization | 5 | 298 | 0.1M Mgacetate, 0.1M citric acid, pH 5, 14% PEG 8000 , Microbatch Crystallization, temperature 298K |