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 | 2005-02-24 |
Detector | ADSC QUANTUM 4 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 127.692, 225.403, 306.106 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 10.000 - 2.900 |
R-factor | 0.249 |
Rwork | 0.249 |
R-free | 0.29200 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2axt |
RMSD bond length | 0.010 |
RMSD bond angle | 1.500 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | CNS |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 3.000 |
High resolution limit [Å] | 2.900 | 2.900 |
Rmerge | 0.085 | 0.409 |
Number of reflections | 193457 | |
<I/σ(I)> | 13.5 | 2.22 |
Completeness [%] | 99.4 | 98.1 |
Redundancy | 12.6 | 5.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | batch | 7 | 298 | PEG2000, PIPES, magnesium chloride, pH7.0, batch, temperature 298K |