7PDJ
R12E vFLIP mutant
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I24 |
| Synchrotron site | Diamond |
| Beamline | I24 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-02-23 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.96859 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 119.402, 69.324, 131.887 |
| Unit cell angles | 90.00, 89.85, 90.00 |
Refinement procedure
| Resolution | 65.940 - 4.200 |
| R-factor | 0.228 |
| Rwork | 0.223 |
| R-free | 0.27290 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3cl3 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.910 |
| Data reduction software | DIALS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.10.3) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 132.000 | 4.700 |
| High resolution limit [Å] | 4.200 | 4.200 |
| Rpim | 0.590 | 2.400 |
| Number of reflections | 8076 | 2287 |
| <I/σ(I)> | 2.5 | 1.4 |
| Completeness [%] | 99.7 | 99.2 |
| Redundancy | 6.2 | 6.1 |
| CC(1/2) | 0.500 | 0.210 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | 0.125 M Na HEPES pH 7.0, 1 % PEG 8000 and 3% methanol |
