6S5D
Square conformation of KtrA R16A mutant ring with bound ATP
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SOLEIL BEAMLINE PROXIMA 1 |
Synchrotron site | SOLEIL |
Beamline | PROXIMA 1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2014-12-06 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.978570 |
Spacegroup name | I 4 |
Unit cell lengths | 121.572, 121.572, 83.726 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.598 - 3.393 |
R-factor | 0.2423 |
Rwork | 0.238 |
R-free | 0.27900 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4j90 |
RMSD bond length | 0.003 |
RMSD bond angle | 0.745 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX (1.8.2_1309) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 45.600 | 3.660 |
High resolution limit [Å] | 3.390 | 3.390 |
Rmerge | 0.047 | 1.829 |
Rmeas | 0.050 | |
Rpim | 0.017 | 0.655 |
Number of reflections | 8535 | 1724 |
<I/σ(I)> | 17.1 | 1.3 |
Completeness [%] | 99.8 | 99 |
Redundancy | 8.9 | 8.5 |
CC(1/2) | 1.000 | 0.573 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 7.5 | 293.15 | 100mM HEPES-NaOH pH 7.5, 2% PEG 6000, 1% 2-Methyl-2,4-pentanediol (MPD) |