Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CLSI BEAMLINE 08ID-1 |
| Synchrotron site | CLSI |
| Beamline | 08ID-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-09-16 |
| Detector | RAYONIX MX-300 |
| Wavelength(s) | 0.976250 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 32.753, 286.814, 123.536 |
| Unit cell angles | 90.00, 90.72, 90.00 |
Refinement procedure
| Resolution | 40.760 - 1.800 |
| R-factor | 0.2356 |
| Rwork | 0.234 |
| R-free | 0.26800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4hcz |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.825 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.4) |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.17.1) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 47.800 | 47.800 | 1.830 |
| High resolution limit [Å] | 1.800 | 9.860 | 1.800 |
| Rmerge | 0.071 | 0.028 | 0.939 |
| Rmeas | 0.082 | 0.034 | 1.117 |
| Rpim | 0.042 | 0.018 | 0.598 |
| Total number of observations | 4946 | 32073 | |
| Number of reflections | 207862 | 1299 | 9809 |
| <I/σ(I)> | 10.5 | 22 | 1.3 |
| Completeness [%] | 99.2 | 98.6 | 93.7 |
| Redundancy | 3.8 | 3.8 | 3.3 |
| CC(1/2) | 0.999 | 0.998 | 0.706 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 291 | 2.4M ammonium phosphate dibasic and 0.1M HEPES pH7.0 |
