3MDX
Crystal structure of deoxyuridine 5-triphosphate nucleotidohydrolase from Brucella melitensis, rhombohedral crystal form
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL7-1 |
| Synchrotron site | SSRL |
| Beamline | BL7-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-02-26 |
| Detector | ADSC QUANTUM 315r |
| Spacegroup name | H 3 |
| Unit cell lengths | 67.880, 67.880, 95.890 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 50.000 - 1.450 |
| R-factor | 0.151 |
| Rwork | 0.150 |
| R-free | 0.16700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3mbq orthorhombic crystal form |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.683 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.120 | 1.490 |
| High resolution limit [Å] | 1.450 | 1.450 |
| Rmerge | 0.029 | 0.467 |
| Number of reflections | 29143 | |
| <I/σ(I)> | 30.1 | 3.2 |
| Completeness [%] | 99.8 | 100 |
| Redundancy | 4.6 | 4.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.4 | 290 | MD PACT SCREEN, E12: 20% PEG 3350, 200MM NA MALONATE, BRABA.10050.A AT 9.7MG/ML, pH 7.40, VAPOR DIFFUSION, SITTING DROP, temperature 290K |
