Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-ID |
Synchrotron site | APS |
Beamline | 19-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-03-12 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.9792 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 47.450, 59.658, 112.391 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 37.200 - 1.550 |
R-factor | 0.137 |
Rwork | 0.136 |
R-free | 0.16100 |
Structure solution method | SAD |
RMSD bond length | 0.019 |
RMSD bond angle | 1.819 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | SHELXD |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 37.200 | 1.580 |
High resolution limit [Å] | 1.550 | 1.550 |
Rmerge | 0.091 | 0.596 |
Number of reflections | 47116 | |
<I/σ(I)> | 10.7 | 2.17 |
Completeness [%] | 99.9 | 99 |
Redundancy | 6.7 | 4.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 289 | 0.2 M magnesium chloride, 0.1 M Hepes buffer, 25% PEG 3350, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 289K |