Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I02 |
Synchrotron site | Diamond |
Beamline | I02 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-08-09 |
Detector | ADSC CCD |
Spacegroup name | I 41 2 2 |
Unit cell lengths | 90.830, 90.830, 118.850 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 21.260 - 2.300 |
R-factor | 0.19407 |
Rwork | 0.192 |
R-free | 0.24032 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2dfa |
RMSD bond length | 0.009 |
RMSD bond angle | 1.107 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | REFMAC (5.6.0081) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 21.260 | 2.360 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.110 | 0.620 |
Number of reflections | 10668 | |
<I/σ(I)> | 21.4 | 2.4 |
Completeness [%] | 98.6 | 99.8 |
Redundancy | 4.7 | 4.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 9 | 42.4% PEGMME550, 0.13 M AMMONIUM CITRATE, 0.1M CHES, PH9.0 |