5TR9

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

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	2016-08-08
Detector	RAYONIX MX-300
Wavelength(s)	0.97872
Spacegroup name	I 21 3
Unit cell lengths	163.010, 163.010, 163.010
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.057 - 1.650
R-factor	0.1486
Rwork	0.148
R-free	0.16300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3crz
RMSD bond length	0.006
RMSD bond angle	0.880
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.057		1.690
High resolution limit [Å]	1.650	7.380	1.650
Rmerge	0.100	0.076	0.541
Number of reflections	86081
<I/σ(I)>	18.8	34.22	5.34
Completeness [%]	100.0	99.7	99.8
Redundancy	15.1
CC(1/2)	0.998	0.997	0.943

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	290	MCSG1 A4 (274714a4): 200mM MgCl2, 100mM Tris-HCl pH7.0, 2500mM NaCl, protein conc. 18.5mg/mL, cryo 20% v/v ethylene glycol, puck lhk6-1