Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-01-21 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97949 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 125.521, 58.635, 103.293 |
| Unit cell angles | 90.00, 124.85, 90.00 |
Refinement procedure
| Resolution | 62.700 - 1.410 |
| R-factor | 0.1796 |
| Rwork | 0.178 |
| R-free | 0.21120 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5cbt |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.720 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 62.700 | 1.450 |
| High resolution limit [Å] | 1.410 | 1.410 |
| Rmerge | 0.043 | |
| Number of reflections | 118357 | 8731 |
| <I/σ(I)> | 9.6 | |
| Completeness [%] | 99.8 | 99.8 |
| Redundancy | 3.2 | |
| CC(1/2) | 0.671 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298 | 0.2 M Ammonium acetate, 0.1 M Sodium citrate tribasic dihydrate pH 5.6, 30% v/v (+/-)-2-Methyl-2,4-pentanediol |
