5B6I
Structure of fluorinase from Streptomyces sp. MA37
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | BRUKER AXS MICROSTAR |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-12-09 |
Detector | Bruker Platinum 135 |
Wavelength(s) | 1.541 |
Spacegroup name | P 21 3 |
Unit cell lengths | 125.635, 125.635, 125.635 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.870 - 1.950 |
R-factor | 0.163 |
Rwork | 0.162 |
R-free | 0.18900 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1rqp |
RMSD bond length | 0.007 |
RMSD bond angle | 1.121 |
Data reduction software | SAINT |
Data scaling software | SAINT |
Phasing software | PHASER |
Refinement software | PHENIX (1.8.4_1496) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 39.000 | 1.870 |
High resolution limit [Å] | 1.800 | 1.800 |
Number of reflections | 60143 | |
<I/σ(I)> | 19.7 | |
Completeness [%] | 98.1 | |
Redundancy | 8.78 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.5 | 298 | 0.1 M Sodium acetate trihydrate, 30% v/v Polyethylene glycol 300 |