3TNB
Crystal structure of GkaP mutant G209D/R230H from Geobacillus kaustophilus HTA426
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U |
| Synchrotron site | SSRF |
| Beamline | BL17U |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-03-15 |
| Detector | RAYONIX MX-225 |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 51.293, 88.800, 89.314 |
| Unit cell angles | 90.00, 98.86, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.600 |
| R-factor | 0.1781 |
| Rwork | 0.177 |
| R-free | 0.19190 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3orw |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.071 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.660 |
| High resolution limit [Å] | 1.600 | 3.450 | 1.600 |
| Rmerge | 0.056 | 0.030 | 0.459 |
| Number of reflections | 103659 | ||
| <I/σ(I)> | 12.9 | ||
| Completeness [%] | 99.7 | 98 | 100 |
| Redundancy | 7.2 | 7.4 | 7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.3 | 287 | 13% PEG 8000, 8% ethylene glycol, 2% glycerol, 0.05M sodium hepes pH7.3, vapor diffusion, hanging drop, temperature 287K |
