3LQW
Crystal structure of deoxyuridine 5-triphosphate nucleotidohydrolase from Entamoeba histolytica
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.1 |
| Synchrotron site | ALS |
| Beamline | 5.0.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-01-24 |
| Detector | ADSC QUANTUM 315r |
| Spacegroup name | H 3 |
| Unit cell lengths | 63.140, 63.140, 108.370 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 48.820 - 1.300 |
| R-factor | 0.133 |
| Rwork | 0.132 |
| R-free | 0.15500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2hva modified with CCP4 program CHAINSAW |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.772 |
| 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] | 50.000 | 1.330 |
| High resolution limit [Å] | 1.300 | 1.300 |
| Rmerge | 0.050 | 0.290 |
| Number of reflections | 39194 | |
| <I/σ(I)> | 19.65 | 3.7 |
| Completeness [%] | 98.8 | 91.5 |
| Redundancy | 5.9 | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 290 | MD PACT SCREEN CONDITION D9: 100MM TRIS, 20% PEG 6000, 200MM LICL, ENHIA.01206.A AT 3.8 MG/ML, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 290K |
