1MDV

KEY ROLE OF PHENYLALANINE 20 IN CYTOCHROME C3: STRUCTURE, STABILITY AND FUNCTION STUDIES

Experimental procedure

Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE X11
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	X11
Temperature [K]	287
Detector technology	IMAGE PLATE
Collection date	1997-12-12
Detector	MARRESEARCH
Spacegroup name	P 4
Unit cell lengths	97.220, 97.220, 36.030
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	15.000 - 2.300
R-factor	0.224
Rwork	0.224
R-free	0.29600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1CTH
RMSD bond length	0.014
RMSD bond angle	25.283 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	X-PLOR (3.8)
Refinement software	X-PLOR (3.8)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	23.000	2.350
High resolution limit [Å]	2.300	2.300
Rmerge	0.063 *	0.505 *
Total number of observations	48916 *
Number of reflections	14381	946 *
<I/σ(I)>	16.4	2.4
Completeness [%]	92.3	93.2
Redundancy	3.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7.6	20 *	pH 7.6

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	13 (mg/ml)
2	1	drop	Tris-HCl	40 (mM)
3	1	reservoir	ammonium sulfate	3.0-3.4 (M)
4	1	reservoir	Tris-HCl	100 (mM)