Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE BL-1A |
Synchrotron site | Photon Factory |
Beamline | BL-1A |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2012-03-05 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 0.979 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 134.179, 134.179, 157.158 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 29.820 - 2.200 |
R-factor | 0.241 |
Rwork | 0.239 |
R-free | 0.27436 |
Structure solution method | SAD |
RMSD bond length | 0.015 |
RMSD bond angle | 1.836 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | AutoSol |
Refinement software | REFMAC (5.8.0230) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.240 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.079 | 0.414 |
Number of reflections | 272254 | 7618 |
<I/σ(I)> | 11.94 | |
Completeness [%] | 90.5 | |
Redundancy | 3.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.2 | 293 | 0.1M Tris-Hcl (pH 8.2), 0.33M sodium/potassium tartrate 0.5% polyehylene glycerol 5000 mono-methyl ether |