1CMQ

SMALL MOLECULE BINDING TO AN ARTIFICIALLY CREATED CAVITY AT THE ACTIVE SITE OF CYTOCHROME C PEROXIDASE

Experimental procedure

Spacegroup name	P 21 21 21
Unit cell lengths	105.200, 74.300, 45.400
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	5.000 - 2.300
R-factor	0.19
Rwork	0.190
RMSD bond length	0.017
RMSD bond angle	2.900
Phasing software	X-PLOR
Refinement software	X-PLOR

Data quality characteristics

	Overall
High resolution limit [Å]	2.000 *
Rmerge	0.057 *
Number of reflections	19881 *
Completeness [%]	80.0 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, sitting drop *	6 *	4 *	Wang, J.M. (1990) Biochemistry, 29, 7160. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	10 (mg/ml)
2	1	drop	potassium phosphate	0.10 (M)
3	1	drop	MPD	40 (%(w/v))
4	1	reservoir	MPD	30 (%(w/v))