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 | 2005-12-09 |
Detector | ADSC CCD |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 136.470, 89.840, 50.150 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 54.000 - 2.700 |
R-factor | 0.21 |
Rwork | 0.210 |
R-free | 0.26000 |
Structure solution method | MIRAS |
RMSD bond length | 0.004 |
RMSD bond angle | 0.531 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | SHELXD |
Refinement software | TNT (5.6.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 54.310 | 2.850 |
High resolution limit [Å] | 2.700 | 2.700 |
Rmerge | 0.090 | 0.140 |
Number of reflections | 114952 | |
<I/σ(I)> | 7.4 | 2.4 |
Completeness [%] | 99.8 | 99.8 |
Redundancy | 6.5 | 3.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 8.5 | 1 M TRISODIUM CITRATE, 10 MM SODIUM BORATE PH 8.5 |