2ZRQ
Crystal structure of S324A-subtilisin
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL38B1 |
Synchrotron site | SPring-8 |
Beamline | BL38B1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-07-28 |
Detector | RIGAKU JUPITER 210 |
Wavelength(s) | 1.0 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 46.188, 60.925, 92.277 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 36.810 - 2.160 |
R-factor | 0.14658 |
Rwork | 0.144 |
R-free | 0.19652 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2z2x |
RMSD bond length | 0.018 |
RMSD bond angle | 1.525 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.230 |
High resolution limit [Å] | 2.150 | 2.150 |
Rmerge | 0.084 | 0.232 |
Number of reflections | 14504 | |
<I/σ(I)> | 30.6 | 6.24 |
Completeness [%] | 99.4 | 97.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5 | 277 | 0.1M Sodium Acetate pH 5.0, 0.2M Ammonium Sulfate, 20% (w/v) PEG 4000, VAPOR DIFFUSION, SITTING DROP, temperature 277K |