9MSZ

1.1 A Crystal Structure of Housefly Cytochrome c at pH 9.7

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	P 1 21 1
Unit cell lengths	34.038, 59.682, 52.127
Unit cell angles	90.00, 106.86, 90.00

Refinement procedure

Resolution	32.575 - 1.100
R-factor	0.1312
Rwork	0.131
R-free	0.15090
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.156
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]	32.575	32.575	1.130
High resolution limit [Å]	1.100	2.590	1.100
Rmerge	0.072	0.066	0.225
Rmeas	0.076	0.071	0.278
Rpim	0.023	0.025	0.106
Number of reflections	76813	6114	3992
<I/σ(I)>	19.7	26.2	5.6
Completeness [%]	95.0	96.62	64.29
Redundancy	12.16	10.14	5.89
CC(1/2)	0.996	0.991	0.963

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	9.7	281	Concentrated protein in 0.5 mM EDTA, 20 mM Tris-HCL pH 7.5 was mixed with an equal volume of precipitant containing 0.1 M Glycine pH 10.0 and 28% w/v Polyethylene Glycol Monomethyl Ether 2000 and allowed to vapor diffuse against a reservoir of the same precipitant