Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I02 |
| Synchrotron site | Diamond |
| Beamline | I02 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-08-07 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 64.590, 64.590, 135.730 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.160 - 1.770 |
| R-factor | 0.1994 |
| Rwork | 0.198 |
| R-free | 0.23180 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4y9o |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.637 |
| Data reduction software | xia2 |
| Data scaling software | Aimless (0.3.6) |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0155) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 29.160 | 29.160 | 1.820 |
| High resolution limit [Å] | 1.770 | 7.920 | 1.770 |
| Rmerge | 0.052 | 0.019 | 0.650 |
| Rmeas | 0.057 | 0.021 | 0.705 |
| Rpim | 0.022 | 0.008 | 0.267 |
| Total number of observations | 178724 | 2112 | 13790 |
| Number of reflections | 28763 | ||
| <I/σ(I)> | 18.8 | 55.7 | 2.6 |
| Completeness [%] | 99.6 | 98.4 | 99.9 |
| Redundancy | 6.2 | 5.3 | 6.7 |
| CC(1/2) | 0.999 | 1.000 | 0.851 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.1 | 277 | 0.8 M sodium phosphate monobasic, 1.2 M potassium phosphate dibasic and 0.1 M sodium acetate pH 4.5, 0.2 M Magnesium Chloride |
