9MT0

1.2 A Crystal Structure of Housefly cytochrome c at pH 11

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	33.876, 58.634, 51.674
Unit cell angles	90.00, 106.77, 90.00

Refinement procedure

Resolution	37.810 - 1.200
R-factor	0.1273
Rwork	0.126
R-free	0.16500
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.105
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]	38.000	38.000	1.240
High resolution limit [Å]	1.200	2.670	1.200
Rmerge	0.088	0.081	0.459
Rmeas	0.097	0.089	0.534
Rpim	0.040	0.037	0.264
Number of reflections	55990	5346	2478
<I/σ(I)>	10.4	18.9	1.6
Completeness [%]	91.8	94.75	45.23
Redundancy	5.36	5.75	2.41
CC(1/2)	0.994	0.988	0.779

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	9.7	291	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. Before cryoprotection and freezing, the crystal was transferred to a well containing 0.1 M CAPS pH 11.0 and 28% w/v Polyethylene Glycol Monomethyl Ether 2000. The crystal fractured, and a fragment was ued for collection.