1P4X

Crystal structure of SarS protein from Staphylococcus Aureus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2001-11-20
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.5418
Spacegroup name	P 65 2 2
Unit cell lengths	84.887, 84.887, 195.743
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.000 * - 2.200
R-factor	0.24
Rwork	0.240
R-free	0.28200 *
Structure solution method	MIR
RMSD bond length	0.008
RMSD bond angle	19.700 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.280
High resolution limit [Å]	2.200	2.200
Rmerge	0.081 *	0.500 *
Total number of observations	576575 *
Number of reflections	22016 *
<I/σ(I)>	41.59
Completeness [%]	99.4 *	98.2
Redundancy	26

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5 *	310	NaCl, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 37K
1	VAPOR DIFFUSION, HANGING DROP	7.5 *	310	NaCl, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 37K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	15 (mg/ml)
2	1	reservoir	beta-mercaptoethanol	5 (mM)
3	1	reservoir	HEPES	100 (mM)	pH7.5
4	1	reservoir		3.5-4.0 (M)