3UWS
Crystal structure of a clostripain (PARMER_00083) from Parabacteroides merdae ATCC 43184 at 1.70 A resolution
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.2.2 |
Synchrotron site | ALS |
Beamline | 8.2.2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-10-15 |
Detector | ADSC QUANTUM 315 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 39.112, 108.683, 77.971 |
Unit cell angles | 90.00, 94.32, 90.00 |
Refinement procedure
Resolution | 28.734 - 1.700 |
R-factor | 0.1445 |
Rwork | 0.143 |
R-free | 0.17540 |
Structure solution method | SAD |
RMSD bond length | 0.013 |
RMSD bond angle | 1.609 |
Data reduction software | XDS |
Data scaling software | XSCALE (December 6, 2010) |
Phasing software | SHELX |
Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 28.734 | 1.760 | |
High resolution limit [Å] | 1.700 | 3.660 | 1.700 |
Rmerge | 0.080 | 0.043 | 0.501 |
Number of reflections | 70913 | 13724 | 13804 |
<I/σ(I)> | 11.34 | 22.9 | 3.2 |
Completeness [%] | 99.1 | 96.9 | 99.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.3 | 277 | 0.2M NH4Cl, 20.0% PEG-3350, No Buffer pH 6.3, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K |