4H7A
Crystal structure of CasB from Thermus thermophilus
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CHESS BEAMLINE A1 |
Synchrotron site | CHESS |
Beamline | A1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-10-31 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 0.9770 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 100.777, 100.777, 84.862 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.000 - 2.600 |
R-factor | 0.176 |
Rwork | 0.173 |
R-free | 0.22990 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2zca |
RMSD bond length | 0.021 |
RMSD bond angle | 1.426 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.640 |
High resolution limit [Å] | 2.600 | 2.600 |
Number of reflections | 12996 | |
Completeness [%] | 92.7 | 86.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.7 | 291.5 | 0.1M MES, pH 5.7-5.9, 50 mM MgSO4, 5% (w/v) PEG 3350, VAPOR DIFFUSION, HANGING DROP, temperature 291.5K |