3IWV
Crystal structure of Y116T mutant of 5-HYDROXYISOURATE HYDROLASE (TRP)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-4 |
Synchrotron site | ESRF |
Beamline | ID14-4 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-04-25 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.979 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 45.920, 103.690, 52.630 |
Unit cell angles | 90.00, 108.81, 90.00 |
Refinement procedure
Resolution | 25.440 - 1.680 |
R-factor | 0.20578 |
Rwork | 0.203 |
R-free | 0.25962 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2h1x |
RMSD bond length | 0.023 |
RMSD bond angle | 2.088 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | REFMAC (5.5.0072) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 44.910 | 1.770 |
High resolution limit [Å] | 1.680 | 1.680 |
Rmerge | 0.052 | 0.490 |
Number of reflections | 43900 | |
<I/σ(I)> | 9.7 | 1.8 |
Completeness [%] | 83.6 | 75.9 |
Redundancy | 3.5 | 3.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 7.5 | 277 | 0.1M HEPES, 20% PEG10,000, pH7.5, VAPOR DIFFUSION, temperature 277K |