2OUW
Crystal structure of Alkylhydroperoxidase AhpD core (YP_425393.1) from Rhodospirillum rubrum ATCC 11170 at 1.95 A resolution
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL11-1 |
| Synchrotron site | SSRL |
| Beamline | BL11-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-12-17 |
| Detector | MARMOSAIC 325 mm CCD |
| Wavelength(s) | 0.91837, 0.97925 |
| Spacegroup name | P 63 2 2 |
| Unit cell lengths | 62.683, 62.683, 216.707 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 48.507 - 1.950 |
| R-factor | 0.197 |
| Rwork | 0.195 |
| R-free | 0.23200 |
| Structure solution method | MAD |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.393 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | SHELX |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.507 | 2.060 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Rmerge | 0.084 | 0.572 |
| Number of reflections | 19429 | |
| <I/σ(I)> | 14.05 | 2.9 |
| Completeness [%] | 98.8 | 96.6 |
| Redundancy | 5.65 | 5.69 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 4.6 | 277 | NANODROP, 0.2M (NH4)2SO4, 25.0% PEG 4000, 0.1M Acetate pH 4.6, VAPOR DIFFUSION, SITTING DROP, temperature 277K, pH 4.60 |
