6HK1
Crystal structure of the Thiazole synthase from Methanothermococcus thermolithotrophicus co-crystallized with Tb-Xo4
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-06-20 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 1.64 |
| Spacegroup name | I 4 2 2 |
| Unit cell lengths | 216.863, 216.863, 207.250 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.090 - 2.550 |
| R-factor | 0.19 |
| Rwork | 0.189 |
| R-free | 0.21300 |
| Structure solution method | SAD |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.920 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | SHARP |
| Refinement software | BUSTER (2.10.3) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.090 | 2.640 |
| High resolution limit [Å] | 2.550 | 2.550 |
| Rmerge | 0.340 | |
| Rpim | 0.054 | 0.460 |
| Number of reflections | 79226 | |
| <I/σ(I)> | 14.6 | 1.6 |
| Completeness [%] | 98.9 | 94.9 |
| Redundancy | 39.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 44 % PEE 797, 100 mM HEPES pH 8.0, 10 mM TbXo4 |
