4ZCC

Renalase in complex with NADH

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2015-03-28
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.97872
Spacegroup name	P 1 21 1
Unit cell lengths	63.500, 71.500, 143.800
Unit cell angles	90.00, 97.50, 90.00

Refinement procedure

Resolution	46.224 - 1.997
R-factor	0.1713
Rwork	0.170
R-free	0.21500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3kkj
RMSD bond length	0.014
RMSD bond angle	1.634
Data reduction software	HKL-2000 (2.3.10)
Data scaling software	HKL-2000 (2.3.10)
Phasing software	PHASER (2.5.7)
Refinement software	PHENIX (dev_1965)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.224	2.030
High resolution limit [Å]	1.997	1.997
Rmerge	0.096	0.628
Number of reflections	86594
<I/σ(I)>	13.7	2.2
Completeness [%]	100.0	100
Redundancy	3.8	3.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.6	293	2.0 M Sodium formate, 100 mM sodium acetate, pH 4.6