Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U |
| Synchrotron site | SSRF |
| Beamline | BL17U |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-04-25 |
| Detector | RAYONIX MX-225 |
| Wavelength(s) | 1 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 84.108, 59.494, 87.245 |
| Unit cell angles | 90.00, 92.45, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.940 |
| R-factor | 0.21017 |
| Rwork | 0.210 |
| R-free | 0.21802 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4tr8 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.541 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.030 |
| High resolution limit [Å] | 1.940 | 1.940 |
| Rmeas | 0.074 | 0.264 |
| Rpim | 0.040 | 0.138 |
| Number of reflections | 63559 | 3421 |
| <I/σ(I)> | 12 | 4.38 |
| Completeness [%] | 99.2 | 99.4 |
| Redundancy | 3.4 | |
| CC(1/2) | 0.969 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 289 | 10% PEG2000, 0.1M calcium acetate, 0.1M Na acetate pH 5.0 |
