Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-2 |
Synchrotron site | ESRF |
Beamline | ID14-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2001-09-21 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.933 |
Spacegroup name | P 63 |
Unit cell lengths | 60.870, 60.870, 109.500 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 47.000 - 2.300 |
R-factor | 0.257 |
Rwork | 0.252 |
R-free | 0.29800 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1qhj |
RMSD bond length | 0.008 |
RMSD bond angle | 1.260 |
Data reduction software | DENZO |
Data scaling software | SCALA |
Phasing software | AMoRE |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.000 | 2.420 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.077 | 0.570 |
Number of reflections | 9848 | |
<I/σ(I)> | 8.1 | 1.5 |
Completeness [%] | 96.9 | 96.9 |
Redundancy | 9.4 | 8.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | LIPIDIC CUBIC PHASE | 5.6 | 293 | Soerensen salt, pH 5.6, Lipidic Cubic Phase, temperature 293K |