Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-09-10 |
Detector | ADSC CCD |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 149.756, 149.756, 154.710 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 129.690 - 2.800 |
R-factor | 0.1893 |
Rwork | 0.188 |
R-free | 0.22041 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2bo7 |
RMSD bond length | 0.016 |
RMSD bond angle | 1.670 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | REFMAC (5.5.0110) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.900 |
High resolution limit [Å] | 2.800 | 2.800 |
Rmerge | 0.080 | 0.590 |
Number of reflections | 47314 | |
<I/σ(I)> | 22.3 | 3.9 |
Completeness [%] | 100.0 | 100 |
Redundancy | 10.9 | 10.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 5 | 4% V/V ETHYLENE GLYCOL, 0.1 M BIS-TRIS PROPANE PH 5.5, 0.2 MNCL2, 0.4 M SODIUM MALONATE. |