Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-1 |
Synchrotron site | ESRF |
Beamline | ID14-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2005-10-01 |
Detector | ADSC CCD |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 135.524, 175.935, 128.914 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 51.993 - 1.895 |
R-factor | 0.1891 |
Rwork | 0.187 |
R-free | 0.22740 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2c9t |
RMSD bond length | 0.009 |
RMSD bond angle | 1.194 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 52.060 | 2.000 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.090 | 0.600 |
Number of reflections | 121101 | |
<I/σ(I)> | 5.5 | 1.1 |
Completeness [%] | 99.8 | 100 |
Redundancy | 3.4 | 3.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 |