3Q1E
Crystal structure of Y116T/I16A double mutant of 5-hydroxyisourate hydrolase in complex with T4
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-2 |
| Synchrotron site | ESRF |
| Beamline | ID23-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-06-21 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.873 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 45.771, 103.462, 53.490 |
| Unit cell angles | 90.00, 109.47, 90.00 |
Refinement procedure
| Resolution | 51.730 - 1.950 |
| R-factor | 0.22489 |
| Rwork | 0.222 |
| R-free | 0.27116 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3iwu |
| RMSD bond length | 0.021 |
| RMSD bond angle | 1.907 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MLPHARE |
| Refinement software | REFMAC (5.5.0072) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 51.730 | 2.060 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Rmerge | 0.054 | 0.458 |
| Number of reflections | 33889 | |
| <I/σ(I)> | 9.5 | 2.1 |
| Completeness [%] | 99.0 | 94.3 |
| Redundancy | 2.5 | 2.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 7.5 | 278 | 0.1M HEPES, 20% PEG 10000, pH 7.5, VAPOR DIFFUSION, temperature 278K |
