3TR0
Structure of guanylate kinase (gmk) from Coxiella burnetii
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-06-02 |
| Detector | RIGAKU SATURN 944 |
| Wavelength(s) | 1.5418 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 67.834, 45.899, 70.042 |
| Unit cell angles | 90.00, 90.35, 90.00 |
Refinement procedure
| Resolution | 38.014 - 1.851 |
| R-factor | 0.1936 |
| Rwork | 0.191 |
| R-free | 0.23260 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2an9 |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.833 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.7_650) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.880 |
| High resolution limit [Å] | 1.850 | 5.020 | 1.850 |
| Rmerge | 0.033 | 0.031 | 0.186 |
| Number of reflections | 17943 | ||
| <I/σ(I)> | 22.8 | ||
| Completeness [%] | 96.9 | 100 | 79.3 |
| Redundancy | 3.5 | 6.7 | 1.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | SITTING DROP | 8.5 | 295 | 0.1 M Tris, pH 8.5, 2.4 M ammonium sulfate, SITTING DROP, temperature 295K |
