7VE7
Crystal structure of KRED mutant-F147L/L153Q/Y190P/L199A/M205F/M206F
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17U1 |
Synchrotron site | SSRF |
Beamline | BL17U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-11-26 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97919 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 128.310, 55.570, 128.560 |
Unit cell angles | 90.00, 103.89, 90.00 |
Refinement procedure
Resolution | 21.327 - 1.720 |
R-factor | 0.175432672799 |
Rwork | 0.174 |
R-free | 0.20969 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4rf2 |
RMSD bond length | 0.005 |
RMSD bond angle | 0.913 |
Data reduction software | xia2 |
Data scaling software | xia2 |
Phasing software | PHENIX |
Refinement software | PHENIX (1.11.1_2575) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 23.840 | 1.760 |
High resolution limit [Å] | 1.720 | 1.720 |
Rmerge | 0.065 | 1.018 |
Rmeas | 0.071 | 1.100 |
Rpim | 0.028 | 0.413 |
Number of reflections | 93405 | 6873 |
<I/σ(I)> | 13.9 | |
Completeness [%] | 99.7 | 99.9 |
Redundancy | 6.6 | 7 |
CC(1/2) | 0.999 | 0.836 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 291 | 0.1 M Bis-Tris pH 6.5, 25% (w/v) PEG3350, 0.2 M MgCl2 |