3F9G

Crystal Structure of the F140A mutant of SARS-Coronovirus 3C-like Protease at pH 6.5

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	61.248, 67.957, 149.286
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	14.990 - 2.600
R-factor	0.235
Rwork	0.232
R-free	0.30600
RMSD bond length	0.006
RMSD bond angle	0.926
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	2.690
High resolution limit [Å]	2.600	5.520	2.600
Rmerge	0.155	0.087	0.350
Total number of observations		7155	6512
Number of reflections	18885
<I/σ(I)>		7.5	1.9
Completeness [%]	95.7	94.8	96.8
Redundancy	3.35	3.24	3.44

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	277	0.1M MES pH 6.5, 10% PEG 6000, 1mM DTT, 5% DMSO, vapor diffusion, hanging drop, temperature 277K