6AC3
Structure of a natural red emitting luciferase from Phrixothrix hirtus (P3121 crystal form)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
Synchrotron site | Australian Synchrotron |
Beamline | MX2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2016-05-03 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.0 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 119.100, 119.100, 351.402 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 19.850 - 3.600 |
R-factor | 0.2088 |
Rwork | 0.207 |
R-free | 0.27110 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6aaa |
RMSD bond length | 0.012 |
RMSD bond angle | 1.647 |
Data reduction software | iMOSFLM |
Data scaling software | SCALA |
Phasing software | Auto-Rickshaw |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 19.850 | 3.780 |
High resolution limit [Å] | 3.600 | 3.600 |
Rmerge | 0.211 | 0.936 |
Rpim | 0.144 | 0.633 |
Number of reflections | 33877 | |
<I/σ(I)> | 6.5 | |
Completeness [%] | 99.1 | |
Redundancy | 5.5 | |
CC(1/2) | 0.985 | 0.504 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6 | 291.15 | 19 to 21% PEG 3350, 0.1M Bis-tris propane, pH 6.0 supplemented with 0.2M ammonium sulfate |