4Y4M
Thiazole synthase Thi4 from Methanocaldococcus jannaschii
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 24-ID-C |
| Synchrotron site | APS |
| Beamline | 24-ID-C |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-02-18 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9791 |
| Spacegroup name | P 32 |
| Unit cell lengths | 180.760, 180.760, 73.328 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 40.000 - 2.710 |
| R-factor | 0.17841 |
| Rwork | 0.177 |
| R-free | 0.20311 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1rp0 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.361 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHENIX |
| Refinement software | REFMAC (5.8.0103) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 40.000 |
| High resolution limit [Å] | 2.700 |
| Rmerge | 0.072 |
| Number of reflections | 72800 |
| <I/σ(I)> | 13.3 |
| Completeness [%] | 99.3 |
| Redundancy | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | EVAPORATION | 9.5 | 295 | 1.05 M Potassium/sodium tartrate, 0.1 M CHES/ Sodium hydroxide pH 9.5, 0.2 M Lithium sulfate |
