3LOR
The Crystal Structure of a Thiol-disulfide Isomerase from Corynebacterium glutamicum to 2.2A
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-05-19 |
| Detector | ADSC QUANTUM 315 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 78.190, 78.892, 124.229 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 41.400 - 2.200 |
| R-factor | 0.214 |
| Rwork | 0.212 |
| R-free | 0.25900 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.303 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SHELX |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.180 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.115 | 0.784 |
| Number of reflections | 45076 | |
| <I/σ(I)> | 8 | |
| Completeness [%] | 99.5 | 100 |
| Redundancy | 4.9 | 4.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 4.6 | 277 | 30% MPD, 0.1M Sodium acetate pH 4.6, 0.2M Calcium chloride, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
