8JWV
Untethered R0RBR
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-10-29 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.8856 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 86.672, 132.579, 64.692 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.330 - 2.900 |
| Rwork | 0.217 |
| R-free | 0.25370 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4i1h |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.667 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0403) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 64.690 | 3.080 |
| High resolution limit [Å] | 2.900 | 2.900 |
| Number of reflections | 8503 | 1360 |
| <I/σ(I)> | 11 | |
| Completeness [%] | 99.4 | |
| Redundancy | 3.8 | |
| CC(1/2) | 0.993 | 0.924 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277 | 0.1 M HEPES, pH 7.5, 8% PEG 4000, 10% isopropanol, 0.1 M BaCl2 |
