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 | 2010-02-17 |
Detector | ADSC CCD |
Spacegroup name | P 1 |
Unit cell lengths | 61.000, 65.810, 99.580 |
Unit cell angles | 89.99, 90.00, 89.99 |
Refinement procedure
Resolution | 40.810 - 1.690 |
R-factor | 0.17188 |
Rwork | 0.170 |
R-free | 0.20762 |
Structure solution method | OTHER |
Starting model (for MR) | NONE |
RMSD bond length | 0.006 |
RMSD bond angle | 0.937 |
Data reduction software | MOSFLM |
Data scaling software | Aimless |
Phasing software | autoSHARP |
Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 44.740 | 1.720 |
High resolution limit [Å] | 1.690 | 1.690 |
Rmerge | 0.100 | 0.710 |
Number of reflections | 153732 | |
<I/σ(I)> | 5 | 1.1 |
Completeness [%] | 89.0 | 85.6 |
Redundancy | 1.9 | 1.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 0.1 M TRIS (PH 8.0), 2 MM ZNCL2, 20% PEG 6000 |