3HIP

HIGH-POTENTIAL IRON-SULFUR PROTEIN FROM CHROMATIUM PURPURATUM

Experimental procedure

Source type	ROTATING ANODE
Source details	RIGAKU RUH3R
Temperature [K]	298
Detector technology	IMAGE PLATE
Collection date	1995-01
Detector	RIGAKU
Spacegroup name	P 21 21 2
Unit cell lengths	55.500, 108.800, 37.200
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	8.000 - 2.800
R-factor	0.224
Rwork	0.224
R-free	0.28800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1hip
RMSD bond length	0.007
RMSD bond angle	25.300 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	X-PLOR (3.1)
Refinement software	X-PLOR (3.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	8.000 *	2.910
High resolution limit [Å]	2.700	2.800
Rmerge	0.116	0.234
Total number of observations	13850 *
Number of reflections	6568
<I/σ(I)>	6.9	3.3
Completeness [%]	94.1	93
Redundancy	5.7	1.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8 *		CRYSTALLIZED BY VAPOR DIFFUSION OVER A RESERVOIR CONTAINING 100 MM CITRATE BUFFER, PH 5.4 AND 3.2 M AMMONIUM SULFATE PROTEIN CONCENTRATION = 8.0 MG/ML, vapor diffusion - hanging drop

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	8.0 (mg/ml)
2	1	drop	Tris	5 (mM)
3	1	reservoir	ammonium sulfate	3 (M)