Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I02 |
| Synchrotron site | Diamond |
| Beamline | I02 |
| Temperature [K] | 120 |
| Detector technology | CCD |
| Collection date | 2011-01-17 |
| Detector | ADSC CCD |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 60.410, 68.790, 94.610 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.920 - 2.810 |
| R-factor | 0.2753 |
| Rwork | 0.275 |
| R-free | 0.28200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3bev |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.860 |
| Data reduction software | XDS (THROUGH XIA2) |
| Data scaling software | Aimless (THROUGH XIA2) |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.11.4) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 68.790 | 2.880 |
| High resolution limit [Å] | 2.810 | 2.810 |
| Rmerge | 0.100 | 0.320 |
| Number of reflections | 9089 | |
| <I/σ(I)> | 9.8 | 1.9 |
| Completeness [%] | 91.4 | 78.5 |
| Redundancy | 3.9 | 2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 0.05 M KH2PO4 AND 20% PEG 8000 |
