6NA5

Crystal Structure of ECR in complex with NADP+

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-10-29
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1
Spacegroup name	P 2 21 21
Unit cell lengths	77.000, 146.700, 200.200
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.361 - 1.750
R-factor	0.1951
Rwork	0.195
R-free	0.21710
RMSD bond length	0.007
RMSD bond angle	1.155
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	49.361	49.361	1.440
High resolution limit [Å]	1.360	4.070	1.360
Rmerge	0.218	0.064	13.194
Rmeas	0.237	0.070	15.745
Number of reflections	223595	34876	99302
<I/σ(I)>	4.37	27.03	0.04
Completeness [%]	93.8	99.8	65.7
Redundancy	6.213	6.523	3.197
CC(1/2)	0.997	0.997

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH		293	0.1M TRIS ph 8.0 20% w/v Poly (acrylic acid sodium salt) 5100 30% glycerol