3P1V
Crystal structure of a metallo-endopeptidases (BACOVA_00663) from Bacteroides ovatus at 1.93 A resolution
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL9-2 |
Synchrotron site | SSRL |
Beamline | BL9-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-07-22 |
Detector | MARMOSAIC 325 mm CCD |
Wavelength(s) | 0.97908,0.91837 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 72.919, 84.963, 139.758 |
Unit cell angles | 90.00, 99.56, 90.00 |
Refinement procedure
Resolution | 48.910 - 1.930 |
R-factor | 0.172 |
Rwork | 0.170 |
R-free | 0.20700 |
Structure solution method | MAD |
RMSD bond length | 0.010 |
RMSD bond angle | 0.990 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | SHELX |
Refinement software | BUSTER-TNT (BUSTER 2.8.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.906 | 2.000 |
High resolution limit [Å] | 1.930 | 1.930 |
Rmerge | 0.098 | 0.636 |
Number of reflections | 63081 | |
<I/σ(I)> | 8.05 | 1.8 |
Completeness [%] | 99.8 | 100 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 277 | 21.30% polyethylene glycol 3350, 0.30M potassium dihydrogen phosphate, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K |