3VB4

Crystal structure of SARS-CoV 3C-like protease with B4Z

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E+ SUPERBRIGHT
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2009-09-18
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	52.322, 97.103, 67.405
Unit cell angles	90.00, 103.17, 90.00

Refinement procedure

Resolution	32.816 - 2.200
R-factor	0.1849
Rwork	0.182
R-free	0.23540
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2q6g
RMSD bond length	0.007
RMSD bond angle	1.077
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASES
Refinement software	PHENIX ((phenix.refine: 1.6.4_486))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	34.100	34.100	2.320
High resolution limit [Å]	2.200	6.960	2.200
Number of reflections	33359
Completeness [%]	100.0	99.2	100

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	289	8.5% PEG 6000, 0.1M MES, 1mM DTT, 1mM EDTA, 3% DMSO, 10% Glycerol, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 289K