6FY8

The crystal structure of EncM bromide soak

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-11-25
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.91881
Spacegroup name	I 2 2 2
Unit cell lengths	82.241, 87.172, 130.909
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.021 - 3.000
R-factor	0.2437
Rwork	0.241
R-free	0.28730
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4xlo
RMSD bond length	0.004
RMSD bond angle	0.751
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX ((1.11rc1_2513: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.021	39.021
High resolution limit [Å]	3.000	3.000
Rmerge	0.393
Number of reflections	18116	9703
<I/σ(I)>	12.8
Completeness [%]	99.9
Redundancy	6.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.7	295	0.1M HEPES-Na (pH 7.5), 0.2M Calcium Acetate, 20% PEG 3350