Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U1 |
| Synchrotron site | SSRF |
| Beamline | BL17U1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2017-04-15 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97915 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 46.443, 82.296, 79.914 |
| Unit cell angles | 90.00, 97.39, 90.00 |
Refinement procedure
| Resolution | 41.148 - 2.988 |
| R-factor | 0.1818 |
| Rwork | 0.180 |
| R-free | 0.21980 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5k4p |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.752 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.11.1_2575: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 3.110 |
| High resolution limit [Å] | 2.980 | 3.000 |
| Rpim | 0.105 | 0.318 |
| Number of reflections | 12018 | 1228 |
| <I/σ(I)> | 7.1 | 2.3 |
| Completeness [%] | 99.2 | 99.8 |
| Redundancy | 4 | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 291 | 0.1 M calcium acetate; 0.1 M MES, pH 6.0, 22% PEG 8000 (v/v), 0.03% DDM |
