8ECP
R16A PA0709 with BME modifications
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.2 |
| Synchrotron site | ALS |
| Beamline | 5.0.2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-03-30 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1 |
| Spacegroup name | H 3 |
| Unit cell lengths | 62.783, 62.783, 120.367 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 31.390 - 1.500 |
| R-factor | 0.1788 |
| Rwork | 0.176 |
| R-free | 0.20470 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | unpublished |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.914 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 31.390 | 1.520 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.050 | 0.364 |
| Rmeas | 0.061 | 0.451 |
| Rpim | 0.035 | 0.264 |
| Number of reflections | 28306 | 1350 |
| <I/σ(I)> | 16.3 | 3.1 |
| Completeness [%] | 99.6 | 96.4 |
| Redundancy | 5.7 | 5.4 |
| CC(1/2) | 0.999 | 0.875 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.1 M sodium cacodylate pH 6.5, 0.2 M magnesium acetate, 30 % PEG 8000 |
