Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CHESS BEAMLINE F1 |
Synchrotron site | CHESS |
Beamline | F1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 1998-01-01 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.9209 |
Spacegroup name | H 3 2 |
Unit cell lengths | 109.350, 109.350, 190.680 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 18.577 - 2.300 |
R-factor | 0.2028 |
Rwork | 0.199 |
R-free | 0.24080 |
RMSD bond length | 0.005 |
RMSD bond angle | 0.678 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | SHARP |
Refinement software | PHENIX ((phenix.refine: 1.8.4_1496)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 2.400 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.066 | 0.041 |
Number of reflections | 18903 | |
<I/σ(I)> | 25.9 | |
Completeness [%] | 95.6 | 96.5 |
Redundancy | 3.84 | 3.84 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 298 | PEG MME 2000, LITHIUM SULPHATE, SPERMINE, TRIS, COBALT HEXAMMINE, MAGNESIUM CHLORIDE, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 298K |