6N00
Fluoroacetate dehalogenase, room temperature structure, using last 1 degree of total 3 degree oscillation and 144 kGy dose
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CHESS BEAMLINE G3 |
Synchrotron site | CHESS |
Beamline | G3 |
Temperature [K] | 298 |
Detector technology | PIXEL |
Collection date | 2018-03-01 |
Detector | DECTRIS EIGER X 1M |
Wavelength(s) | 1.216 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 41.600, 79.100, 83.800 |
Unit cell angles | 90.00, 103.00, 90.00 |
Refinement procedure
Resolution | 33.430 - 1.900 |
R-factor | 0.1802 |
Rwork | 0.178 |
R-free | 0.22400 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6fsx |
RMSD bond length | 0.007 |
RMSD bond angle | 0.928 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (1.14_3260) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 33.430 | 1.968 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmeas | 0.403 | 7.990 |
Rpim | 0.155 | 3.103 |
Number of reflections | 41428 | 3991 |
<I/σ(I)> | 4.97 | 0.6 |
Completeness [%] | 99.0 | 96.7 |
Redundancy | 6.3 | 6 |
CC(1/2) | 0.944 | 0.026 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | BATCH MODE | 295 | 16-20% PEG 3350, 100mM Tris-Cl pH 8.5, and 200mM CaCl2. |