3CT9
Crystal structure of a putative zinc peptidase (NP_812461.1) from Bacteroides thetaiotaomicron VPI-5482 at 2.31 A resolution
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL11-1 |
Synchrotron site | SSRL |
Beamline | BL11-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-06-21 |
Detector | MARMOSAIC 325 mm CCD |
Wavelength(s) | 0.97910 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 51.340, 67.250, 107.890 |
Unit cell angles | 90.00, 94.28, 90.00 |
Refinement procedure
Resolution | 28.513 - 2.310 |
R-factor | 0.197 |
Rwork | 0.194 |
R-free | 0.25300 |
Structure solution method | SAD |
RMSD bond length | 0.016 |
RMSD bond angle | 1.732 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | SOLVE |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 28.513 | 28.513 | 2.360 |
High resolution limit [Å] | 2.280 | 4.890 | 2.280 |
Rmerge | 0.043 | 0.021 | 0.240 |
Number of reflections | 31807 | 6430 | 2772 |
<I/σ(I)> | 12.23 | 26.7 | 3 |
Completeness [%] | 93.7 | 96.2 | 42.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.2 | 277 | NANODROP, 0.2M NH4I, 20.0% PEG 3350, No Buffer pH 6.2, VAPOR DIFFUSION, SITTING DROP, temperature 277K |