3HCZ
The crystal structure of a domain of possible thiol-disulfide isomerase from Cytophaga hutchinsonii ATCC 33406.
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 | 2008-12-10 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.97926 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 55.011, 55.011, 126.072 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 33.390 - 1.880 |
| R-factor | 0.18076 |
| Rwork | 0.179 |
| R-free | 0.21915 |
| Structure solution method | SAD |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.509 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | SHELXD |
| Refinement software | REFMAC (5.5.0054) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 33.400 | 1.910 |
| High resolution limit [Å] | 1.880 | 1.880 |
| Rmerge | 0.088 | 0.876 |
| Number of reflections | 16600 | |
| <I/σ(I)> | 40.6 | 3.3 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 12 | 12 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 277 | 0.2 M Ammonium Sulfate, 0.1 M MES, 30% Peg 5000 MME, 3% 1,6-diaminohexane, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
