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 |