1C09

RUBREDOXIN V44A CP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	281
Detector technology	IMAGE PLATE
Detector	RIGAKU
Spacegroup name	P 1 21 1
Unit cell lengths	38.348, 57.420, 38.503
Unit cell angles	90.00, 112.74, 90.00

Refinement procedure

Resolution	10.000 - 1.600
R-factor	0.176 *
Rwork	0.176
R-free	0.20500 *
RMSD bond length	0.010
RMSD bond angle	2.400
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	X-PLOR
Refinement software	X-PLOR (3.8)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	10.000	1.650
High resolution limit [Å]	1.600	1.590
Rmerge	0.052	0.417
Total number of observations	73641 *
Number of reflections	18892 *
<I/σ(I)>	13.8
Completeness [%]	93.6	76.3
Redundancy	5	4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	5 *	281	0.1M Na acetate pH 4.5, 2M ammonium sulfate, temperature 281K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	30 (mg/ml)
2	1	drop	sodium acetate	0.05 (M)
3	1	reservoir	sodium acetate	0.1 (M)
4	1	reservoir	ammonium sulfate	2.5 (M)