3B1C
Crystal structure of betaC-S lyase from Streptococcus anginosus: Internal aldimine form
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 | 2008-07-26 |
Detector | RIGAKU JUPITER 210 |
Wavelength(s) | 1.0000 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 66.970, 111.140, 216.440 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 108.470 - 1.930 |
R-factor | 0.14923 |
Rwork | 0.147 |
R-free | 0.18772 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.015 |
RMSD bond angle | 1.466 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 108.470 | 1.970 |
High resolution limit [Å] | 1.930 | 1.930 |
Rmerge | 0.061 | 0.230 |
Number of reflections | 122200 | |
Completeness [%] | 100.0 | 100 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 1.6M Ammonium sulfate, 0.1M Hepes pH7.5, 0.1M Sodium chloride, VAPOR DIFFUSION, HANGING DROP, temperature 293K |