3F9H

Crystal Structure of the F140A mutant of SARS-Coronovirus 3C-like Protease at pH 7.6

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2008-03-01
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	61.111, 68.144, 148.903
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	14.970 - 2.900
R-factor	0.235
Rwork	0.232
R-free	0.29400
RMSD bond length	0.006
RMSD bond angle	0.932
Data reduction software	d*TREK
Data scaling software	d*TREK (7.1SSI)
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	15.000	14.970	3.000
High resolution limit [Å]	2.900	6.120	2.900
Rmerge	0.189	0.111	0.366
Total number of observations		5169	5112
Number of reflections	14073
<I/σ(I)>		5.8	1.9
Completeness [%]	98.4	94.6	99.9
Redundancy	3.47	3.17	3.59

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.6	277	0.1M Tris pH 7.6, 10% PEG 6000, 1mM DTT, 5% DMSO, vapor diffusion, hanging drop, temperature 277K