Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06SA |
Synchrotron site | SLS |
Beamline | X06SA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2012-08-19 |
Detector | DECTRIS PILATUS 6M |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 211.594, 455.434, 616.940 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.790 - 3.350 |
R-factor | 0.223 |
Rwork | 0.223 |
R-free | 0.26100 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | PDB ENTRIES 3KIQ 3KIR |
RMSD bond length | 0.007 |
RMSD bond angle | 1.200 |
Data reduction software | CNS |
Data scaling software | CNS |
Phasing software | CNS |
Refinement software | CNS (1.2) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 3.400 |
High resolution limit [Å] | 3.350 | 3.350 |
Rmerge | 0.150 | 1.060 |
Number of reflections | 842970 | |
<I/σ(I)> | 9.3 | 1.6 |
Completeness [%] | 99.7 | 99.8 |
Redundancy | 5.1 | 4.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7.1 | 0.1 M TRIS-HAC PH 7.2, 0.2 M KSCN, 4.1%-4.3% (W/V) PEG 20K AND 4.1%-4.3% (W/V) PEG 550MME |