4Y4N
Thiazole synthase Thi4 from Methanococcus igneus
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 | 2013-10-07 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9791 |
| Spacegroup name | P 31 |
| Unit cell lengths | 101.302, 101.302, 204.309 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 50.000 - 2.100 |
| R-factor | 0.19981 |
| Rwork | 0.199 |
| R-free | 0.21597 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1rp0 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.251 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHENIX |
| Refinement software | REFMAC (5.8.0103) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | |
| High resolution limit [Å] | 2.100 | |
| Rmerge | 0.049 | 0.049 |
| Number of reflections | 136825 | |
| <I/σ(I)> | 19.7 | 2.3 |
| Completeness [%] | 98.6 | 99.8 |
| Redundancy | 3.4 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | EVAPORATION | 9.5 | 295 | 1 M Sodium citrate tribasic 0.1 M CHES/ Sodium hydroxide pH 9.5 |
