4X8H
Crystal structure of E. coli Adenylate kinase P177A mutant
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | BRUKER AXS MICROSTAR-H |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-02-03 |
Detector | Bruker Platinum 135 |
Wavelength(s) | 1.5418 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 135.418, 31.534, 52.745 |
Unit cell angles | 90.00, 110.65, 90.00 |
Refinement procedure
Resolution | 33.600 - 2.500 |
R-factor | 0.1961 |
Rwork | 0.191 |
R-free | 0.28950 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4ake |
RMSD bond length | 0.003 |
RMSD bond angle | 0.642 |
Data reduction software | SAINT |
Data scaling software | SADABS |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine: 1.9_1692)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 33.600 | 2.590 |
High resolution limit [Å] | 2.500 | 2.500 |
Rmerge | 0.139 | 0.345 |
Number of reflections | 7465 | |
<I/σ(I)> | 16.6 | |
Completeness [%] | 98.5 | 89 |
Redundancy | 5.2 | 5.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 291 | 30% PEG 4K, 0.1 M Tris-HCl, 0.2 M MgCl2 |