2IN3
Crystal structure of a putative protein disulfide isomerase from Nitrosomonas europaea
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-10-16 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.97930, 0.97946 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 48.844, 59.642, 84.450 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 31.900 - 1.850 |
| R-factor | 0.19053 |
| Rwork | 0.189 |
| R-free | 0.22731 |
| Structure solution method | MAD |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.358 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHENIX |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 31.900 | 1.920 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Number of reflections | 20391 | |
| <I/σ(I)> | 11.5 | |
| Completeness [%] | 94.0 | 67.7 |
| Redundancy | 8.2 | 4.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 25mM Potassium phosphate, 20% PEG 8000, 2% Tacsimate, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
