1IXM

CRYSTAL STRUCTURE OF SPOOB FROM BACILLUS SUBTILIS

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	277
Detector technology	IMAGE PLATE
Collection date	1997-04-01
Detector	MARRESEARCH
Spacegroup name	P 21 21 21
Unit cell lengths	44.400, 94.400, 109.700
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.000 - 2.600
Rwork	0.217
R-free	0.31400
Structure solution method	MIR
RMSD bond length	0.013
RMSD bond angle	2.800
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASES
Refinement software	X-PLOR

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.720
High resolution limit [Å]	2.600	2.600
Rmerge	0.080 *	0.225 *
Total number of observations	42324 *
Number of reflections	14203
<I/σ(I)>	17.6	2.4
Completeness [%]	96.6	92.3
Redundancy	3	1.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	8.5	295 *	2M AMMONIUM SULPHATE PH 8.5

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	76 (mg/ml)
2	1	reservoir	ammonium sulfate	2 (M)
3	1	reservoir	Tris-HCl	100 (mM)