3JSK
Thiazole synthase from Neurospora crassa
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 24-ID-E |
| Synchrotron site | APS |
| Beamline | 24-ID-E |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-03-01 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9791 |
| Spacegroup name | P 1 2 1 |
| Unit cell lengths | 158.237, 125.914, 158.208 |
| Unit cell angles | 90.00, 90.22, 90.00 |
Refinement procedure
| Resolution | 49.980 - 2.700 |
| R-factor | 0.202 |
| Rwork | 0.202 |
| R-free | 0.24600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2GJC |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.400 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS (1.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.800 |
| High resolution limit [Å] | 2.700 | 2.700 |
| Rmerge | 0.131 | 0.377 |
| Number of reflections | 157169 | |
| <I/σ(I)> | 5.3 | 2.2 |
| Completeness [%] | 97.7 | 96.9 |
| Redundancy | 3.5 | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 291 | 200 mM sodium thiocyanate, 20% PEG3350, 6% ethylene glycol, pH 7.0, vapor diffusion, hanging drop, temperature 291K |
