7JKA
m3DLH
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I24 |
| Synchrotron site | Diamond |
| Beamline | I24 |
| Temperature [K] | 80 |
| Detector technology | PIXEL |
| Collection date | 2019-12-01 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.9686 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 78.445, 43.680, 59.645 |
| Unit cell angles | 90.00, 92.71, 90.00 |
Refinement procedure
| Resolution | 24.270 - 1.530 |
| R-factor | 0.1657 |
| Rwork | 0.164 |
| R-free | 0.20140 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3f67 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.975 |
| Data reduction software | DIALS |
| Data scaling software | Aimless |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 24.270 | 1.580 |
| High resolution limit [Å] | 1.530 | 1.530 |
| Rmerge | 0.114 | 0.526 |
| Number of reflections | 29979 | 2912 |
| <I/σ(I)> | 9.53 | 2.13 |
| Completeness [%] | 98.4 | |
| Redundancy | 6.7 | |
| CC(1/2) | 0.990 | 0.850 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291 | 0.1 M Na3 Cit 5.6 pH (Buffer) 30 %w/v PEG 4K (Precipitant) 0.2 M NH4 Acet (Salt) |
