6YN2
Crystal structure of Renilla reniformis luciferase variant RLuc8-W121F/E144Q in complex with a coelenteramide (the postcatalytic enzyme-product complex)
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 | 2019-02-07 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 0.99987 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 112.765, 131.077, 142.030 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 44.528 - 1.900 |
R-factor | 0.1735 |
Rwork | 0.172 |
R-free | 0.19620 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2psj |
Data reduction software | XDS |
Data scaling software | Aimless (0.6.2) |
Phasing software | PHASER |
Refinement software | PHENIX (1.14-3260-000) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 48.660 | 48.660 | 1.940 |
High resolution limit [Å] | 1.900 | 9.870 | 1.900 |
Rmerge | 0.115 | 0.022 | 1.800 |
Rmeas | 0.119 | 0.023 | 2.100 |
Rpim | 0.032 | 0.007 | 0.629 |
Total number of observations | 1120338 | ||
Number of reflections | 82701 | 668 | 4421 |
<I/σ(I)> | 18.5 | ||
Completeness [%] | 99.9 | 99.2 | 98.7 |
Redundancy | 13.5 | 12 | 12.4 |
CC(1/2) | 0.999 | 1.000 | 0.495 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 293.5 | NaHPO4/K2HPO4, sodium acetate |