2H4U
Crystal Structure of Human Thioesterase Superfamily Member 2
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM14 |
| Synchrotron site | ESRF |
| Beamline | BM14 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-03-16 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.976 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 57.050, 90.970, 114.400 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.550 - 2.200 |
| R-factor | 0.21969 |
| Rwork | 0.217 |
| R-free | 0.27189 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1wn3 |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.591 |
| Data scaling software | XDS |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 100.000 | 2.400 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.078 | 0.280 |
| Number of reflections | 30821 | |
| <I/σ(I)> | 17.58 | 7.5 |
| Completeness [%] | 99.6 | 99.8 |
| Redundancy | 7.2 | 7.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.7 | 293 | 20 % PEG 3350, 0.2M Na/K phosphate, pH 6.7, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
