3N8U
Crystal structure of an imelysin peptidase (BACOVA_03801) from Bacteroides ovatus at 1.44 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 | 2010-04-07 |
| Detector | MARMOSAIC 325 mm CCD |
| Wavelength(s) | 0.91837,0.97947,0.97901 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 131.470, 49.930, 128.320 |
| Unit cell angles | 90.00, 117.58, 90.00 |
Refinement procedure
| Resolution | 29.738 - 1.440 |
| R-factor | 0.168 |
| Rwork | 0.167 |
| R-free | 0.19000 |
| Structure solution method | MAD |
| RMSD bond length | 0.010 |
| RMSD bond angle | 0.740 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | SHELX |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.738 | 1.490 |
| High resolution limit [Å] | 1.440 | 1.440 |
| Rmerge | 0.046 | 0.920 |
| Number of reflections | 132203 | |
| <I/σ(I)> | 10.1 | 1.2 |
| Completeness [%] | 94.5 | 88.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.7 | 277 | 0.20M MgAcetate, 20.00% PEG-3350, No Buffer pH 7.7, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
