Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X10SA |
| Synchrotron site | SLS |
| Beamline | X10SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-03-19 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.989 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 71.520, 102.360, 112.820 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.610 - 2.450 |
| R-factor | 0.2264 |
| Rwork | 0.224 |
| R-free | 0.27360 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3nkx |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.376 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER (2.3.0) |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 46.610 | 46.610 | 2.600 |
| High resolution limit [Å] | 2.450 | 20.000 | 2.450 |
| Rmerge | 0.057 | 0.028 | 0.923 |
| Rmeas | 0.060 | 0.030 | 0.961 |
| Total number of observations | 407229 | ||
| Number of reflections | 31166 | 75 | 4986 |
| <I/σ(I)> | 26.68 | 59.84 | 3.1 |
| Completeness [%] | 99.9 | 88.2 | 99.8 |
| Redundancy | 13.066 | 8.267 | 13.014 |
| CC(1/2) | 1.000 | 1.000 | 0.959 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 277.15 | 0.17 M Ammonium acetate; 0.085 M Sodium citrate pH 5.6; 25.5% (w/v) PEG 4000; 15% (v/v) Glycerol |
