Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | EMBL/DESY, HAMBURG BEAMLINE X13 |
Synchrotron site | EMBL/DESY, HAMBURG |
Beamline | X13 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-07-21 |
Detector | MARRESEARCH SX-165 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 138.858, 42.802, 60.540 |
Unit cell angles | 90.00, 100.14, 90.00 |
Refinement procedure
Resolution | 17.280 - 3.230 |
R-factor | 0.20546 |
Rwork | 0.203 |
R-free | 0.26384 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2y9m |
RMSD bond length | 0.005 |
RMSD bond angle | 0.951 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 17.280 | 3.400 |
High resolution limit [Å] | 3.230 | 3.230 |
Rmerge | 0.140 | 0.480 |
Number of reflections | 5612 | |
<I/σ(I)> | 3.5 | 1.9 |
Completeness [%] | 96.9 | 97.9 |
Redundancy | 2.3 | 2.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7 | 8.0 % (V/V) ETHYLENE GLYCOL, 14.0 % (W/V) POLYETHYLENE GLYCOL, 0.1 M HEPES PH 7.0 |