3TRG
Structure of an acylphosphatase 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 | 2011-05-23 |
| Detector | RIGAKU SATURN 944 |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 64 |
| Unit cell lengths | 69.710, 69.710, 40.059 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 26.295 - 1.601 |
| R-factor | 0.1723 |
| Rwork | 0.172 |
| R-free | 0.18890 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.870 |
| 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] | 30.000 | 30.000 | 1.630 |
| High resolution limit [Å] | 1.600 | 4.340 | 1.600 |
| Rmerge | 0.048 | 0.031 | 0.441 |
| Number of reflections | 14789 | ||
| <I/σ(I)> | 14.6 | ||
| Completeness [%] | 99.9 | 99.5 | 99.9 |
| Redundancy | 5.5 | 8.4 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | sitting drop | 5.6 | 277 | 0.1M tri-sodium citrate pH 5.6 0.2M ammonium acetate 30% PEG 4000, sitting drop, temperature 277K |
