3F9F

Crystal Structure of the F140A mutant of SARS-Coronovirus 3C-like Protease at pH 6.0

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	61.160, 67.942, 149.242
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	14.990 - 2.300
R-factor	0.21
Rwork	0.208
R-free	0.24600
RMSD bond length	0.007
RMSD bond angle	1.057
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	14.990	2.380
High resolution limit [Å]	2.300	4.900	2.300
Rmerge	0.103	0.048	0.327
Total number of observations		11013	10490
Number of reflections	28129
<I/σ(I)>		13	2.1
Completeness [%]	99.3	97.1	100
Redundancy	3.77	3.66	3.78

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	277	0.1M MES pH 6.0, 10% PEG 6000, 1mM DTT, 5% DMSO, vapor diffusion, hanging drop, temperature 277K