1C52

THERMUS THERMOPHILUS CYTOCHROME-C552: A NEW HIGHLY THERMOSTABLE CYTOCHROME-C STRUCTURE OBTAINED BY MAD PHASING

Experimental procedure

Source type	SYNCHROTRON
Source details	MPG/DESY, HAMBURG BEAMLINE BW6
Synchrotron site	MPG/DESY, HAMBURG
Beamline	BW6
Temperature [K]	90
Detector technology	IMAGE PLATE
Collection date	1996-10
Detector	MARRESEARCH
Spacegroup name	P 41
Unit cell lengths	47.100, 47.100, 68.820
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	8.000 - 1.280
R-factor	0.191
Rwork	0.191
R-free	0.22400
Structure solution method	MAD
RMSD bond length	0.012
RMSD bond angle	23.150 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MADSYS
Refinement software	X-PLOR (3.851)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	14.600	1.310
High resolution limit [Å]	1.280	1.280
Rmerge	0.033 *	0.357 *
Total number of observations	165576 *
Number of reflections	36004
<I/σ(I)>	14.1	1.6
Completeness [%]	93.6	78.2
Redundancy	4.6	2.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	unknown *	8.2		drop consists of 8 microlitter protein and 2 microlitter reservoir solution *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	10 (mg/ml)
2	1	drop	Tris/HCl	10 (mM)
3	1	reservoir	Tris-HCl	100 (mM)
4	1	reservoir	ammonium sulfate	2.0 (M)