3TQU
Structure of a HAM1 protein 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 | 2011-05-26 |
| Detector | RIGAKU SATURN 944 |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 51.528, 86.737, 105.794 |
| Unit cell angles | 90.00, 92.49, 90.00 |
Refinement procedure
| Resolution | 22.755 - 1.900 |
| R-factor | 0.2018 |
| Rwork | 0.200 |
| R-free | 0.24470 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1k7k |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.700 |
| Data reduction software | HKL-2000 |
| 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 | 1.930 |
| High resolution limit [Å] | 1.900 | 5.150 | 1.900 |
| Rmerge | 0.083 | 0.046 | 0.484 |
| Number of reflections | 72951 | ||
| <I/σ(I)> | 7.4 | ||
| Completeness [%] | 99.4 | 98.7 | 95.3 |
| Redundancy | 3.2 | 3.4 | 2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 277 | 0.2M calcium chloride, 20% PEG3350, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
