5NJ0

EthR complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04-1
Synchrotron site	Diamond
Beamline	I04-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-03-01
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9174
Spacegroup name	P 41 21 2
Unit cell lengths	121.411, 121.411, 33.685
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	85.850 - 2.100
R-factor	0.18265
Rwork	0.181
R-free	0.22296
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.015
RMSD bond angle	1.619
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall
Low resolution limit [Å]	85.850
High resolution limit [Å]	2.100
Number of reflections	15211
<I/σ(I)>	14.3
Completeness [%]	99.4
Redundancy	10.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	MES pH 6-6.5, 1.4 - 1.6 M AS