6S2J
Square conformation of KtrA R16K mutant ring with bound ATP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-04-13 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.954240 |
| Spacegroup name | I 4 |
| Unit cell lengths | 123.276, 123.276, 84.451 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.165 - 2.670 |
| R-factor | 0.1942 |
| Rwork | 0.190 |
| R-free | 0.23570 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4j90 |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.086 |
| 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] | 46.165 | 2.800 |
| High resolution limit [Å] | 2.670 | 2.670 |
| Rmerge | 0.055 | 0.868 |
| Rmeas | 0.062 | 0.981 |
| Rpim | 0.028 | 0.449 |
| Number of reflections | 17872 | 2313 |
| <I/σ(I)> | 13.9 | 1.7 |
| Completeness [%] | 99.0 | 96.5 |
| Redundancy | 4.8 | 4.5 |
| CC(1/2) | 0.999 | 0.541 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293.15 | 100mM Tris-HCl pH 8.5; 8% polyethylene glycol 8000 |
