3VHQ
Crystal structure of the Ca6 site mutant of Pro-SA-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 | 2008-05-29 |
Detector | RIGAKU JUPITER 210 |
Wavelength(s) | 1.0 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 73.434, 92.780, 124.279 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 36.080 - 2.150 |
R-factor | 0.17476 |
Rwork | 0.171 |
R-free | 0.24081 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.023 |
RMSD bond angle | 1.973 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.5.0110) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.160 |
High resolution limit [Å] | 2.090 | 2.090 |
Number of reflections | 24074 | |
Completeness [%] | 95.6 | 78.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 277 | 4.0M sodium formate, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 277K |