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 |
