5EXQ

Human cytochrome c Y48H

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	93
Detector technology	CCD
Collection date	2015-11-05
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.95370
Spacegroup name	P 1 21 1
Unit cell lengths	56.791, 35.965, 59.937
Unit cell angles	90.00, 115.63, 90.00

Refinement procedure

Resolution	54.038 - 1.600
R-factor	0.1737
Rwork	0.173
R-free	0.19270
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3zcf
RMSD bond length	0.011
RMSD bond angle	0.950
Data reduction software	MOSFLM (7.1.1)
Data scaling software	Aimless (0.3.11)
Phasing software	PHASER (2.6.0)
Refinement software	PHENIX (1.10-2155)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	54.040	54.040	1.620
High resolution limit [Å]	1.600	8.600	1.600
Rmerge	0.104	0.065	0.425
Rpim	0.052	0.030	0.322
Total number of observations	97684	979	3523
Number of reflections	26388
<I/σ(I)>	10.4	22.3	2.6
Completeness [%]	90.1	92.5	90.6
Redundancy	3.7	5.1	2.6
CC(1/2)	0.991	0.992	0.678

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	291	Hanging drops of 1 microL of 29.5 mg/mL of reduced protein and 2 microL reservoir buffer were allowed to equilibrate above the reservoir buffer (32% (w/v) polyethylene glycol 5000, 50 mM lithiumsulfate, 50 mM Tris-HCl pH 8.5). The protein solution was 17.5 mM sodium phosphate, 25 mM sodium chloride, 15 mM sodium dithionite (pH 7.6).