6S36
Crystal structure of E. coli Adenylate kinase R119K mutant
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE MASSIF-3 |
Synchrotron site | ESRF |
Beamline | MASSIF-3 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-03-03 |
Detector | DECTRIS EIGER X 4M |
Wavelength(s) | 0.968 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 135.690, 31.619, 53.171 |
Unit cell angles | 90.00, 111.86, 90.00 |
Refinement procedure
Resolution | 33.286 - 1.600 |
R-factor | 0.1632 |
Rwork | 0.159 |
R-free | 0.23560 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4x8h |
RMSD bond length | 0.010 |
RMSD bond angle | 0.992 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX ((1.13_2998: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 33.300 | 1.630 |
High resolution limit [Å] | 1.600 | 1.600 |
Rmerge | 0.056 | 0.665 |
Rpim | 0.034 | 0.411 |
Number of reflections | 27793 | 2806 |
<I/σ(I)> | 16 | 2.4 |
Completeness [%] | 99.1 | 99.9 |
Redundancy | 6.8 | |
CC(1/2) | 0.998 | 0.775 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 291 | Droplets of 2 to 4 microl protein solution in 30 mM MES pH 6.0 and 50 mM NaCl at 18 mg per ml and 5 molar excess of Ap5A were mixed with 2 microl reservoir solution consisting of 24-30% PEG 4000, 0.2 M MgCl2 and 100 mM Tris-HCl pH 8.5. |