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 |
