4X8M
Crystal structure of E. coli Adenylate kinase Y171W 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 | 2014-01-15 |
Detector | Bruker Platinum 135 |
Wavelength(s) | 1.5418 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 123.566, 31.618, 63.080 |
Unit cell angles | 90.00, 114.42, 90.00 |
Refinement procedure
Resolution | 33.800 - 2.600 |
R-factor | 0.2491 |
Rwork | 0.246 |
R-free | 0.30890 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4ake |
RMSD bond length | 0.003 |
RMSD bond angle | 0.648 |
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] | 33.800 | 2.670 |
High resolution limit [Å] | 2.600 | 2.600 |
Rmerge | 0.074 | 0.275 |
Number of reflections | 31147 | |
<I/σ(I)> | 26 | 3.7 |
Completeness [%] | 97.5 | 82.3 |
Redundancy | 4.2 | 2.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 291 | 28% PEG 4K, 0.2 M NaOAc, 0.1 M Tris-HCl |