5ZQ7

SidE-Ubi-NAD

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	193
Detector technology	PIXEL
Collection date	2017-11-15
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9785
Spacegroup name	P 21 21 21
Unit cell lengths	93.409, 129.381, 192.381
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.939 - 2.847
R-factor	0.1944
Rwork	0.192
R-free	0.23940
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5zq5
RMSD bond length	0.007
RMSD bond angle	1.237
Data scaling software	HKL-3000
Phasing software	PHENIX
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.900
High resolution limit [Å]	2.840	2.850
Rmerge	0.174
Rmeas	0.181
Rpim	0.050	0.305
Number of reflections	55129
<I/σ(I)>	13.2
Completeness [%]	100.0
Redundancy	13.1
CC(1/2)		0.826

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	PEG 3350, Tacsimate