1QOG

FERREDOXIN MUTATION S47A

Experimental procedure

Temperature [K]	269
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 - 1.800
Rwork	0.182
Structure solution method	DIFFERENCE FOURIER
RMSD bond length	0.014
RMSD bond angle	17.200 *
Data reduction software	XDS
Data scaling software	XCALIBRE
Refinement software	TNT

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000	1.880
High resolution limit [Å]	1.800	1.800
Rmerge	0.044	0.130
Total number of observations	43417 *
Number of reflections	19030
<I/σ(I)>	24.6	4.1
Completeness [%]	92.0	82
Redundancy	2.3	3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	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 (%)