Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2012-06-30 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 55.210, 79.480, 58.200 |
| Unit cell angles | 90.00, 115.72, 90.00 |
Refinement procedure
| Resolution | 42.160 - 1.390 |
| R-factor | 0.1721 |
| Rwork | 0.171 |
| R-free | 0.20080 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3utq |
| RMSD bond length | 0.024 |
| RMSD bond angle | 2.276 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.1.16) |
| Phasing software | PHASER (2.5.6) |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 42.160 | 42.160 | 1.430 |
| High resolution limit [Å] | 1.390 | 6.220 | 1.390 |
| Rmerge | 0.054 | 0.052 | 1.107 |
| Rpim | 0.034 | 0.035 | 0.678 |
| Total number of observations | 310905 | 3162 | 23107 |
| Number of reflections | 89266 | ||
| <I/σ(I)> | 11.9 | 31.6 | 1.7 |
| Completeness [%] | 98.3 | 93.5 | 98.4 |
| Redundancy | 3.5 | 3.2 | 3.5 |
| CC(1/2) | 0.994 | 0.928 | 0.475 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.2M ammonium chloride, 0.1M TRIS pH8, 20% PEG 6000 |
