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 | 2004-12-16 |
Detector | MARRESEARCH SX-165 |
Spacegroup name | I 41 2 2 |
Unit cell lengths | 68.065, 68.065, 178.909 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 63.620 - 1.760 |
R-factor | 0.19123 |
Rwork | 0.189 |
R-free | 0.22507 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2trt |
RMSD bond length | 0.019 |
RMSD bond angle | 1.844 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | AMoRE |
Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 27.100 | 1.870 |
High resolution limit [Å] | 1.760 | 1.760 |
Rmerge | 0.100 | 1.010 |
Number of reflections | 20998 | |
<I/σ(I)> | 14.5 | 2.28 |
Completeness [%] | 98.2 | 91.5 |
Redundancy | 8.5 | 7.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 8 | 13% PEG 6000, 2 M KCL, PH 8.0 |