7OMO
Crystal structure of coelenteramine-bound Renilla reniformis luciferase RLuc8-D120A variant
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06DA |
Synchrotron site | SLS |
Beamline | X06DA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-08-27 |
Detector | DECTRIS PILATUS 2M-F |
Wavelength(s) | 0.9990 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 49.315, 139.972, 50.623 |
Unit cell angles | 90.00, 112.56, 90.00 |
Refinement procedure
Resolution | 46.751 - 1.451 |
R-factor | 0.1641 |
Rwork | 0.163 |
R-free | 0.18120 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2SPJ |
RMSD bond length | 0.005 |
RMSD bond angle | 0.786 |
Data reduction software | XDS |
Data scaling software | Aimless (0.6.2) |
Phasing software | PHASER |
Refinement software | PHENIX (1.19.2-4158) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 46.751 | 10.000 | 1.480 |
High resolution limit [Å] | 1.450 | 7.950 | 1.450 |
Rmerge | 0.046 | 0.022 | 0.861 |
Rmeas | 0.049 | 0.024 | 0.932 |
Rpim | 0.019 | 0.011 | 0.353 |
Number of reflections | 111521 | 708 | 5415 |
<I/σ(I)> | 21.2 | ||
Completeness [%] | 99.9 | 99.8 | 99.2 |
Redundancy | 6.8 | 6.4 | 6.8 |
CC(1/2) | 1.000 | 0.999 | 0.807 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293.15 | PEG3350, magnesium chloride, bis-tris |