7EJJ
Crystal structure of KRED F147L/L153Q/Y190P variant and methyl methacrylate complex
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL19U1 |
Synchrotron site | SSRF |
Beamline | BL19U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-06-25 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97853 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 134.018, 56.025, 127.848 |
Unit cell angles | 90.00, 104.29, 90.00 |
Refinement procedure
Resolution | 41.627 - 1.800 |
R-factor | 0.162697112241 |
Rwork | 0.161 |
R-free | 0.19569 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4rf2 |
RMSD bond length | 0.007 |
RMSD bond angle | 0.989 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | PHENIX |
Refinement software | PHENIX (1.11.1_2575) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 49.250 | 1.830 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.044 | 0.244 |
Rmeas | 0.052 | 0.293 |
Rpim | 0.028 | 0.160 |
Number of reflections | 84521 | 4424 |
<I/σ(I)> | 27.4 | |
Completeness [%] | 98.9 | 98.3 |
Redundancy | 6.5 | 6.2 |
CC(1/2) | 0.999 | 0.969 |
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) PEG 3350, 0.2 M MgCl2 |