1QOA

FERREDOXIN MUTATION C49S

Experimental procedure

Temperature [K]	277
Detector technology	AREA DETECTOR
Detector	SIEMENS
Spacegroup name	P 21 21 21
Unit cell lengths	37.730, 38.230, 148.160
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.000 - 1.700
R-factor	0.182 *
Rwork	0.182
Structure solution method	DIFFERENCE FOURIER
Starting model (for MR)	WILD TYPE
RMSD bond length	0.014
RMSD bond angle	2.250 *
Data reduction software	XDS
Data scaling software	XSCALIBRE
Refinement software	TNT

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000	1.780
High resolution limit [Å]	1.700	1.700
Rmerge	0.029	0.105
Total number of observations	58282 *
Number of reflections	21258 *	2175 *
<I/σ(I)>	27.8	4.2
Completeness [%]	85.0 *	66
Redundancy	2.8	1.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	5.5	4 *	pH 5.5

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	ammonium sulfate	2.6 (M)
2	1	reservoir	potassium succinate	50 (mM)
3	1	reservoir	MPD	1 (%)