4ORD
Crystal Structure of Zebra Fish Thioesterase Superfamily Member 2
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U |
| Synchrotron site | SSRF |
| Beamline | BL17U |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-04-10 |
| Detector | RAYONIX MX-225 |
| Wavelength(s) | 0.9716 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 77.064, 74.350, 96.590 |
| Unit cell angles | 90.00, 93.72, 90.00 |
Refinement procedure
| Resolution | 35.020 - 1.800 |
| R-factor | 0.19516 |
| Rwork | 0.193 |
| R-free | 0.22505 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2f0x |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.100 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.860 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.087 | 0.588 |
| Number of reflections | 50707 | |
| <I/σ(I)> | 15.5 | 2.5 |
| Completeness [%] | 99.8 | 100 |
| Redundancy | 3.8 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 289 | 0.1M Ammonium Acetate, 0.1M Bis-Tris, 17%(w/v) PEG10000, pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 289K |
