Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I02 |
Synchrotron site | Diamond |
Beamline | I02 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-02-07 |
Detector | ADSC QUANTUM 315r |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 155.290, 154.779, 58.906 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.960 - 1.880 |
R-factor | 0.17689 |
Rwork | 0.176 |
R-free | 0.20059 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2x8l |
RMSD bond length | 0.012 |
RMSD bond angle | 1.102 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 49.090 | 1.950 |
High resolution limit [Å] | 1.880 | 1.880 |
Rmerge | 0.010 | 0.880 |
Number of reflections | 115329 | |
<I/σ(I)> | 16.8 | 1.9 |
Completeness [%] | 100.0 | 99.8 |
Redundancy | 13.4 | 10.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 9 | 0.1 M BICINE PH 9, 22.5% PEG6000 |