7A42

Fluoroacetate Dehalogenase measured by serial synchrotron crystallography

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P14 (MX2)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P14 (MX2)
Temperature [K]	293
Detector technology	PIXEL
Collection date	2016-05-27
Detector	DECTRIS PILATUS 6M
Wavelength(s)	.9778
Spacegroup name	P 1 21 1
Unit cell lengths	41.900, 79.900, 84.800
Unit cell angles	90.00, 103.40, 90.00

Refinement procedure

Resolution	33.080 - 1.750
R-factor	0.1583
Rwork	0.157
R-free	0.19290
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3r3u
RMSD bond length	0.009
RMSD bond angle	1.082
Data reduction software	CrystFEL
Phasing software	PHASER
Refinement software	PHENIX (1.18_3855)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	57.390	1.813
High resolution limit [Å]	1.750	1.750
Number of reflections	54827	5456
<I/σ(I)>	4.18
Completeness [%]	100.0
Redundancy	139.52
CC(1/2)	0.953	0.525

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH MODE		293	18-20 % (w/v)) PEG3350, 200 mM CaCl2, and 100 mM Tris-HCl pH 8.5