5VW4

Nicotinamide soak of Y316S mutant of corn root ferredoxin:NADP+ reductase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.3
Synchrotron site	ALS
Beamline	5.0.3
Temperature [K]	100
Detector technology	CCD
Collection date	2007-02-12
Detector	ADSC QUANTUM 315
Wavelength(s)	1.0
Spacegroup name	P 32 2 1
Unit cell lengths	58.894, 58.894, 184.812
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	51.004 - 1.351
R-factor	0.1385
Rwork	0.135
R-free	0.17320
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3lo8
RMSD bond length	0.009
RMSD bond angle	1.013
Data reduction software	iMOSFLM
Data scaling software	SCALA
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	51.000	1.420
High resolution limit [Å]	1.350	1.350
Rmerge	0.091	0.241
Number of reflections	75008	9295
<I/σ(I)>	6.2	1.7
Completeness [%]	91.0	78.4
Redundancy	5.8	2.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.4	298	22-24% PEG 8000, 0.1 M sodium cacodylate (pH 6-7), 0.18-0.22 M magnesium acetate, 100 mM nicotinamide