1CQQ

TYPE 2 RHINOVIRUS 3C PROTEASE WITH AG7088 INHIBITOR

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Detector technology	IMAGE PLATE
Collection date	1998-11-08
Detector	MARRESEARCH
Spacegroup name	P 21 21 21
Unit cell lengths	34.300, 65.700, 77.900
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	10.000 - 1.850
RMSD bond length	0.016 *
RMSD bond angle	2.900 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	X-PLOR
Refinement software	X-PLOR (3.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.920
High resolution limit [Å]	1.850	1.850
Rmerge	0.019 *	0.231
Number of reflections	13981
<I/σ(I)>	10.3
Completeness [%]	89.2	48.7
Redundancy		1.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	286	20% PEG10K, 0.1M HEPES, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 13K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	6.8 (mg/ml)
2	1	reservoir	PEG10000	20 (%(v/v))
3	1	reservoir	HEPES	0.1 (M)