Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-1 |
Synchrotron site | ESRF |
Beamline | ID23-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-11-11 |
Detector | ADSC CCD |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 82.952, 86.622, 120.674 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.800 - 2.300 |
R-factor | 0.21176 |
Rwork | 0.208 |
R-free | 0.28342 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2y4d |
RMSD bond length | 0.012 |
RMSD bond angle | 1.416 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 60.000 | 2.360 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.090 | 0.480 |
Number of reflections | 36837 | |
<I/σ(I)> | 15.8 | 2.1 |
Completeness [%] | 94.4 | 89.6 |
Redundancy | 3.7 | 3.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7 | 291 | 2.0M AMMONIUM SULFATE, 5% (V/V) PEG 400, 0.1M HEPES PH 7.0, 291K |