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 | 2005-05-09 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.9766 |
Spacegroup name | P 64 |
Unit cell lengths | 200.327, 200.327, 52.060 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 37.200 - 1.860 |
Rwork | 0.209 |
R-free | 0.23600 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1xcl |
RMSD bond length | 0.010 |
RMSD bond angle | 0.970 |
Data reduction software | DENZO |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | BUSTER-TNT (BUSTER 2.8.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 37.200 | 1.890 |
High resolution limit [Å] | 1.860 | 1.860 |
Rmerge | 0.700 | 0.407 |
Number of reflections | 97258 | |
<I/σ(I)> | 21.2 | 2.3 |
Completeness [%] | 96.5 | 74 |
Redundancy | 7.7 | 4.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 6.5 | 297 | 21% PEG3350, 0.1M CACL2, 0.1M TRIS, 1MM GUANIDINE HCL, pH 6.5, VAPOR DIFFUSION, temperature 297K |