3IR3
Crystal structure of human 3-hydroxyacyl-thioester dehydratase 2 (HTD2)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04 |
Synchrotron site | Diamond |
Beamline | I04 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-08-07 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.97930 |
Spacegroup name | P 61 |
Unit cell lengths | 99.880, 99.880, 77.720 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 43.250 - 1.990 |
R-factor | 0.17161 |
Rwork | 0.170 |
R-free | 0.20287 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1iq6 |
RMSD bond length | 0.018 |
RMSD bond angle | 1.452 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.5.0089) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 43.250 | 2.100 |
High resolution limit [Å] | 1.990 | 1.990 |
Rmerge | 0.071 | 0.501 |
Number of reflections | 29964 | |
<I/σ(I)> | 10.8 | 2.3 |
Completeness [%] | 99.4 | 98.8 |
Redundancy | 3.6 | 3.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 277 | 0.5% jeff2001; 1.1M Na(malonate); 0.1M HEPES pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 277K |