Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-D |
Synchrotron site | APS |
Beamline | 21-ID-D |
Temperature [K] | 110 |
Detector technology | CCD |
Collection date | 2010-02-11 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 1.12714 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 52.291, 84.655, 170.750 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 28.500 - 2.000 |
R-factor | 0.1753 |
Rwork | 0.174 |
R-free | 0.20660 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3KAX |
RMSD bond length | 0.007 |
RMSD bond angle | 0.896 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX |
Refinement software | PHENIX (1.7.1_743) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.070 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.092 | 0.557 |
Number of reflections | 51856 | |
<I/σ(I)> | 15 | 2.3 |
Completeness [%] | 99.1 | 97.9 |
Redundancy | 4.3 | 2.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 298 | 20% PEG3350, 200mM potassium sulphate, 10mM pyridoxyl-5-phosphate, pH 7, VAPOR DIFFUSION, HANGING DROP, temperature 298K |