1MJ4

Crystal Structure Analysis of the cytochrome b5 domain of human sulfite oxidase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X26C
Synchrotron site	NSLS
Beamline	X26C
Temperature [K]	298
Detector technology	CCD
Collection date	2001-05-01
Detector	ADSC QUANTUM 4
Wavelength(s)	1.100
Spacegroup name	C 1 2 1
Unit cell lengths	98.899, 35.447, 26.263
Unit cell angles	90.00, 93.78, 90.00

Refinement procedure

Resolution	10.000 * - 1.200
R-factor	0.1195
Rwork	0.118
R-free	0.13700 *
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.023
RMSD bond angle	2.180 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	REFMAC (5.1.24)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.240
High resolution limit [Å]	1.200	1.200
Rmerge	0.089 *	0.270 *
Total number of observations	63140 *
Number of reflections	28384 *
Completeness [%]	96.0	88
Redundancy	2.2 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	8.5	298	ammonium sulfate and Tris, pH 8.5, VAPOR DIFFUSION, HANGING DROP at 298K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	10 (mg/ml)
2	1	reservoir	ammonium sulfate	1.5 (M)
3	1	reservoir	Tris	0.1 (M)	pH8.5