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 |