1CRJ

THE ROLE OF A CONSERVED INTERNAL WATER MOLECULE AND ITS ASSOCIATED HYDROGEN BOND NETWORK IN CYTOCHROME C

Experimental procedure

Spacegroup name	P 43 21 2
Unit cell lengths	36.560, 36.560, 137.530
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	? - 2.050
R-factor	0.179
RMSD bond length	0.022
RMSD bond angle	0.044 *
Refinement software	PROLSQ

Data quality characteristics

	Overall
High resolution limit [Å]	2.050 *
Rmerge	0.070 *
Total number of observations	33491 *
Number of reflections	5700 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *			using a hair-seeding *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	sodium phosphate	0.1 (M)
2	1	reservoir	ammonium sulphate	86-94 (%sat)
3	1	drop	DTT	20 (mM)	can be replaced with 70mM sodium dithionite