8C16

Crystal structure of asymmetric ferredoxin/flavodoxin NADP+ oxidoreductase 2 (FNR2) H326V mutant from Bacillus cereus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID30B
Synchrotron site	ESRF
Beamline	ID30B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-04-18
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.976254
Spacegroup name	P 21 21 21
Unit cell lengths	71.855, 105.133, 216.874
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	75.480 - 4.200
R-factor	0.2312
Rwork	0.227
R-free	0.30830
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6gas
RMSD bond length	0.004
RMSD bond angle	0.743
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	75.480	4.700
High resolution limit [Å]	4.200	4.200
Rmerge	0.177	0.962
Rmeas	0.202	1.092
Rpim	0.093	0.499
Number of reflections	11894	3352
<I/σ(I)>	5.6	1.7
Completeness [%]	95.8	96.8
Redundancy	4	4.2
CC(1/2)	0.994	0.552

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	298	24 mg/mL protein (1:1) 10% w/v PEG 4000, 20% v/v glycerol, 0.02 M sodium l-glutamate, 0.02 M dl-alanine, 0.02 M glycine, 0.02 M dl-lysine HCl, 0.02 M dl-serine, 0.1 M bicine/Trizma base pH 8.5