9MT1

1.53 A Crystal Structure of Housefly cytochrome c at pH 6.5

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CHESS BEAMLINE F1
Synchrotron site	CHESS
Beamline	F1
Temperature [K]	100
Detector technology	CCD
Collection date	2015-03-07
Detector	ADSC QUANTUM 270
Wavelength(s)	0.9804
Spacegroup name	C 1 2 1
Unit cell lengths	58.222, 34.152, 105.071
Unit cell angles	90.00, 105.04, 90.00

Refinement procedure

Resolution	29.190 - 1.405
R-factor	0.1606
Rwork	0.159
R-free	0.18530
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.110
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (dev_3150)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.196	29.200	1.450
High resolution limit [Å]	1.405	3.220	1.405
Rmerge	0.124	0.098	0.694
Rmeas	0.138	0.108	0.910
Rpim	0.059	0.045	0.581
Number of reflections	36225	3395	1841
<I/σ(I)>	7.9	16.3	1
Completeness [%]	92.2	99.47	57.44
Redundancy	4.64	5.39	1.67
CC(1/2)	0.992	0.989	0.519

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.56	291	protein in 0.5 mM Na-EDTA, 20 mM Tris at pH of 7.5, was mixed with an equal volume of precipitant containing 0.1 M BIS-Tris pH 6.5, 28% w/v Polyethylene Glycol Monomethyl Ether 2000 and allowed to equilibrate by vapor diffusion against the same precipitant