6G75
Crystal structure of the common ancestor of haloalkane dehalogenases and Renilla luciferase (AncHLD-RLuc)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I02 |
| Synchrotron site | Diamond |
| Beamline | I02 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-02-04 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 44.549, 60.510, 123.630 |
| Unit cell angles | 90.00, 90.90, 90.00 |
Refinement procedure
| Resolution | 21.619 - 1.391 |
| R-factor | 0.1518 |
| Rwork | 0.150 |
| R-free | 0.18960 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2psf |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.821 |
| Data reduction software | MOSFLM |
| Data scaling software | Aimless (0.2.17) |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.11.1_2575) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 21.760 | 21.760 | 1.410 |
| High resolution limit [Å] | 1.390 | 7.620 | 1.390 |
| Rmerge | 0.107 | 0.055 | 0.727 |
| Rmeas | 0.134 | 0.067 | 0.924 |
| Rpim | 0.079 | 0.038 | 0.563 |
| Total number of observations | 301152 | 2209 | 14950 |
| Number of reflections | 122192 | 815 | 5891 |
| <I/σ(I)> | 4.5 | 9.1 | 1.4 |
| Completeness [%] | 93.1 | 95.6 | 91.5 |
| Redundancy | 2.5 | 2.7 | 2.5 |
| CC(1/2) | 0.990 | 0.992 | 0.431 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 292 | 0.1 M HEPES pH 7.0 and 10% (w/v) PEG 6000 |
