Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 12.3.1 |
Synchrotron site | ALS |
Beamline | 12.3.1 |
Detector technology | CCD |
Collection date | 2005-12-16 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.28279 |
Spacegroup name | P 63 2 2 |
Unit cell lengths | 96.700, 96.700, 114.300 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 48.350 - 2.200 |
R-factor | 0.219 |
Rwork | 0.219 |
R-free | 0.23500 |
Structure solution method | MAD |
RMSD bond length | 0.005 |
RMSD bond angle | 1.400 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | SOLVE |
Refinement software | CNS (1.2) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 100.000 |
High resolution limit [Å] | 2.000 |
Rmerge | 0.088 |
Number of reflections | 30364 |
<I/σ(I)> | 18.6 |
Completeness [%] | 100.0 |
Redundancy | 11.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.2 | 298 | 40% peg400, 0.1M mes, pH 6.2, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
1 | VAPOR DIFFUSION, HANGING DROP | 6.2 | 298 | 40% peg400, 0.1M mes, pH 6.2, VAPOR DIFFUSION, HANGING DROP, temperature 298K |