2QVP
CRYSTAL STRUCTURE OF A PUTATIVE METALLOPEPTIDASE (SAMA_0725) FROM SHEWANELLA AMAZONENSIS SB2B AT 2.00 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 | 2007-06-22 |
| Detector | MARMOSAIC 325 mm CCD |
| Wavelength(s) | 0.91837, 0.97944 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 64.040, 74.750, 96.120 |
| Unit cell angles | 90.00, 95.19, 90.00 |
Refinement procedure
| Resolution | 29.630 - 2.000 |
| R-factor | 0.164 |
| Rwork | 0.161 |
| R-free | 0.21300 |
| Structure solution method | MAD |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.863 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | SHELX |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 29.630 | 29.630 | 2.070 |
| High resolution limit [Å] | 2.000 | 4.300 | 2.000 |
| Rmerge | 0.107 | 0.035 | 0.518 |
| Number of reflections | 57061 | ||
| <I/σ(I)> | 7.41 | 19.4 | 1.87 |
| Completeness [%] | 92.8 | 99.6 | 99.5 |
| Redundancy | 3.36 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.6 | 277 | NANODROP, 1.6M (NH4)2SO4, 20.0% Glycerol, 0.1M Acetate pH 4.6, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
