4K1X

Ferredoxin-NADP(H) Reductase mutant with Ala 266 replaced by Tyr (A266Y) and residues 267-272 deleted.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-4
Synchrotron site	ESRF
Beamline	ID14-4
Temperature [K]	100
Detector technology	CCD
Collection date	2009-07-06
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9395
Spacegroup name	P 31 2 1
Unit cell lengths	74.970, 74.970, 188.610
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	38.152 - 1.700
R-factor	0.1771
Rwork	0.177
R-free	0.18180
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.658
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.20)
Phasing software	CNS
Refinement software	PHENIX (1.7.1_743)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	38.152	38.152	1.790
High resolution limit [Å]	1.700	5.380	1.700
Rmerge		0.044	0.565
Rmeas		0.047	0.593
Rpim		0.014	0.179
Total number of observations		24320	107132
Number of reflections	68570
<I/σ(I)>	16.5	33.3	4.7
Completeness [%]	100.0	99.8	100
Redundancy	10.7	10.2	10.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	291	21% (wt/vol) PEG 3350, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K