3TQZ
Structure of a deoxyuridine 5'-triphosphate nucleotidohydrolase (dut) 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 | 2011-05-06 |
| Detector | RIGAKU SATURN 944 |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 63 |
| Unit cell lengths | 85.065, 85.065, 54.760 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 19.523 - 1.750 |
| R-factor | 0.1758 |
| Rwork | 0.175 |
| R-free | 0.18610 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1dud |
| RMSD bond length | 0.021 |
| RMSD bond angle | 1.871 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.7.1_743) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 30.000 | 30.000 | 1.730 |
| High resolution limit [Å] | 1.700 | 4.610 | 1.700 |
| Rmerge | 0.035 | 0.027 | 0.373 |
| Number of reflections | 23951 | ||
| <I/σ(I)> | 20.5 | ||
| Completeness [%] | 95.8 | 95 | 60 |
| Redundancy | 7.1 | 10.1 | 1.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | SITTING DROP | 7.5 | 295 | 0.1 M HEPES, pH 7.5, 1.6 M ammonium sulfate, 0.1 M sodium chloride, SITTING DROP, temperature 295K |
