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