Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-F |
| Synchrotron site | APS |
| Beamline | 21-ID-F |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2019-04-18 |
| Detector | RAYONIX MX-300 |
| Wavelength(s) | 0.97872 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 192.300, 50.880, 49.920 |
| Unit cell angles | 90.00, 93.15, 90.00 |
Refinement procedure
| Resolution | 35.260 - 2.100 |
| R-factor | 0.2084 |
| Rwork | 0.206 |
| R-free | 0.23830 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3psg |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.800 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MR-Rosetta |
| Refinement software | PHENIX (1.19 dev 4329) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.150 |
| High resolution limit [Å] | 2.100 | 9.390 | 2.100 |
| Rmerge | 0.046 | 0.020 | 1.204 |
| Rmeas | 0.053 | 0.024 | 1.410 |
| Number of reflections | 28381 | 341 | 2079 |
| <I/σ(I)> | 15.4 | 52.06 | 1.11 |
| Completeness [%] | 99.8 | 96.6 | 99.6 |
| Redundancy | 3.95 | 3.443 | 3.589 |
| CC(1/2) | 0.999 | 0.998 | 0.654 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 9.4 | 290 | RigakuReagents JCSG A7 optimization screen: 100mM Tris HCl / NaOH pH 9.4, 17.86% PEG 8000: PlfaA.17789.b.HE11.PD38363 at 11.4mg/ml: cryo: 20% EG: tray: 3908603 D3: puck qpu2-2 |
