Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | RRCAT INDUS-2 BEAMLINE PX-BL21 |
| Synchrotron site | RRCAT INDUS-2 |
| Beamline | PX-BL21 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2019-06-07 |
| Detector | RAYONIX MX-225 |
| Wavelength(s) | 0.97949 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 82.666, 42.150, 75.680 |
| Unit cell angles | 90.00, 118.24, 90.00 |
Refinement procedure
| Resolution | 29.220 - 1.800 |
| R-factor | 0.1884 |
| Rwork | 0.187 |
| R-free | 0.22290 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6a4s |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.4) |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.19) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 41.190 | 41.190 | 1.840 |
| High resolution limit [Å] | 1.800 | 9.000 | 1.800 |
| Rmerge | 0.027 | 0.026 | 0.070 |
| Rmeas | 0.032 | 0.032 | 0.089 |
| Rpim | 0.017 | 0.018 | 0.054 |
| Total number of observations | 66076 | 614 | 1904 |
| Number of reflections | 20727 | 188 | 902 |
| <I/σ(I)> | 29.1 | 49.7 | 9.3 |
| Completeness [%] | 96.4 | 96.4 | 71.7 |
| Redundancy | 3.2 | 3.3 | 2.1 |
| CC(1/2) | 0.999 | 0.996 | 0.991 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICROBATCH | 7 | 294 | 50 mM Bis-Tris, 200 mM NaNO3, 10 mM CaCl2, 30% PEG 3350 |
