3TC8
Crystal structure of a Zn-dependent exopeptidase (BDI_3547) from Parabacteroides distasonis ATCC 8503 at 1.06 A resolution
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL14-1 |
Synchrotron site | SSRL |
Beamline | BL14-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-07-04 |
Detector | MARMOSAIC 325 mm CCD |
Spacegroup name | P 1 |
Unit cell lengths | 44.662, 51.277, 72.985 |
Unit cell angles | 105.74, 99.92, 97.46 |
Refinement procedure
Resolution | 25.382 - 1.060 |
R-factor | 0.1126 |
Rwork | 0.112 |
R-free | 0.13150 |
Structure solution method | SAD |
RMSD bond length | 0.016 |
RMSD bond angle | 1.652 |
Data reduction software | XDS |
Data scaling software | XSCALE (December 6, 2010) |
Phasing software | SHELX |
Refinement software | REFMAC (5.5.0110) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 25.382 | 25.382 | 1.100 |
High resolution limit [Å] | 1.060 | 2.280 | 1.060 |
Rmerge | 0.056 | 0.028 | 0.881 |
Number of reflections | 252314 | 51826 | 50518 |
<I/σ(I)> | 11.71 | 37 | 1.6 |
Completeness [%] | 91.6 | 94 | 87.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 277 | 0.1M bicine pH 9, 30% polyethylene glycol 6000, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K |