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 |