5UFA

Crystal Structure of a ferredoxin NADP+ reductase from Neisseria gonorrhoeae with bound FAD and NADP

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	2016-10-26
Detector	RAYONIX MX-300
Wavelength(s)	0.97872
Spacegroup name	I 41 2 2
Unit cell lengths	164.190, 164.190, 167.730
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.500
R-factor	0.1769
Rwork	0.175
R-free	0.22040
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3crz
RMSD bond length	0.008
RMSD bond angle	1.014
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.560
High resolution limit [Å]	2.500	11.180	2.500
Rmerge	0.105	0.047	0.497
Number of reflections	39389
<I/σ(I)>	15.07	30.23	3.98
Completeness [%]	98.9	91	99.8
Redundancy	7.412	6.467	7.57
CC(1/2)	0.997	0.997	0.882

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	290	JCSG+ D12 (274715d12): 40mM Potassium phosphate monobasic, 16% (w/v) PEG 8000, 20% (v/v) glycerol, protein conc. 18.5mg/mL, direct cryo, puck hat5-6