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 |