3LWA
The Crystal Structure of a Secreted Thiol-disulfide Isomerase from Corynebacterium glutamicum to 1.75A
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 | 2010-01-01 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9794 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 38.818, 35.376, 53.718 |
| Unit cell angles | 90.00, 96.69, 90.00 |
Refinement procedure
| Resolution | 26.680 - 1.750 |
| R-factor | 0.201 |
| Rwork | 0.200 |
| R-free | 0.23000 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.331 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SHELX |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.810 |
| High resolution limit [Å] | 1.750 | 3.770 | 1.750 |
| Rmerge | 0.079 | 0.054 | 0.573 |
| Number of reflections | 14734 | ||
| <I/σ(I)> | 10.7 | ||
| Completeness [%] | 99.0 | 95.8 | 99.3 |
| Redundancy | 3.6 | 3.4 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 289 | 16% PEG 8000, 20% Glycerol, 0.04M K3PO4, VAPOR DIFFUSION, SITTING DROP, temperature 289K |
