7C4A

nicA2 with cofactor FAD

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	CCD
Collection date	2016-05-04
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.979
Spacegroup name	P 41 21 2
Unit cell lengths	115.693, 115.693, 168.531
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.620 - 2.050
R-factor	0.1526
Rwork	0.151
R-free	0.19000
Structure solution method	AB INITIO PHASING
RMSD bond length	0.012
RMSD bond angle	1.491
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	95.380	2.120
High resolution limit [Å]	2.050	2.050
Rmeas	0.154	0.662
Rpim	0.054	0.229
Number of reflections	72574	7139
<I/σ(I)>	102.2
Completeness [%]	99.8
Redundancy	8.1
CC(1/2)	0.990	0.900

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	pet3350, tris