3KW0
Crystal structure of Cysteine peptidase (NP_982244.1) from BACILLUS CEREUS ATCC 10987 at 2.50 A resolution
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 23-ID-D |
Synchrotron site | APS |
Beamline | 23-ID-D |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-08-20 |
Detector | MARMOSAIC 300 mm CCD |
Spacegroup name | P 65 |
Unit cell lengths | 64.960, 64.960, 407.800 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 37.769 - 2.500 |
R-factor | 0.193 |
Rwork | 0.192 |
R-free | 0.21900 |
Structure solution method | SAD |
RMSD bond length | 0.014 |
RMSD bond angle | 1.476 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | SHELX |
Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 37.774 | 37.774 | 2.640 |
High resolution limit [Å] | 2.500 | 7.910 | 2.500 |
Rmerge | 0.080 | 0.047 | 1.037 |
Number of reflections | 33303 | 1054 | 4807 |
<I/σ(I)> | 15.3 | 40.8 | 1.7 |
Completeness [%] | 98.7 | 98.1 | 99.7 |
Redundancy | 5.7 | 5.5 | 5.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 277 | 0.8M KH2PO4, 0.8M NaH2PO4, 0.1M HEPES pH 7.5, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K |