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 | 2003-02-14 |
Detector | ADSC CCD |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 74.563, 113.800, 155.031 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 91.290 - 2.060 |
R-factor | 0.197 |
Rwork | 0.196 |
R-free | 0.24400 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1ol1 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.636 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 2.170 |
High resolution limit [Å] | 2.060 | 2.060 |
Rmerge | 0.110 | 1.060 |
Number of reflections | 79118 | |
<I/σ(I)> | 13.2 | 1.4 |
Completeness [%] | 99.0 | 98 |
Redundancy | 2.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7.8 | 22% PEG 3350, 0.1M NA3-CIT, pH 7.80 |