Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-ID |
Synchrotron site | APS |
Beamline | 19-ID |
Temperature [K] | 105 |
Detector technology | CCD |
Collection date | 2011-08-20 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1.0070 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 60.923, 69.405, 92.506 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 36.839 - 1.700 |
R-factor | 0.1979 |
Rwork | 0.196 |
R-free | 0.22450 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3coi |
RMSD bond length | 0.007 |
RMSD bond angle | 1.098 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine: dev_1839)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.760 |
High resolution limit [Å] | 1.700 | 1.700 |
Rmerge | 0.065 | 0.504 |
Number of reflections | 43897 | |
<I/σ(I)> | 29.6 | 4.1 |
Completeness [%] | 99.3 | 99.7 |
Redundancy | 6.7 | 6.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 290 | 50 MM AMMONIUM TARTRATE, 18% PEG 3350 |