5DFS

Crystal structure of Spider Monkey Cytochrome C at 1.15 Angstrom

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL14-1
Synchrotron site	SSRL
Beamline	BL14-1
Temperature [K]	100
Detector technology	CCD
Collection date	2015-04-09
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	1.22
Spacegroup name	P 1 21 1
Unit cell lengths	31.534, 42.733, 67.654
Unit cell angles	90.00, 94.47, 90.00

Refinement procedure

Resolution	14.750 - 1.150
R-factor	0.1603
Rwork	0.160
R-free	0.18250
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2ycc
RMSD bond length	0.019
RMSD bond angle	1.637
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.8.4_1496)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	14.750	1.191
High resolution limit [Å]	1.150	1.150
Rmerge		0.615
Number of reflections	62439
<I/σ(I)>	15.4	2.05
Completeness [%]	97.8	97.59
Redundancy	2.8	2.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.2	293	0.1 M LiCl2, 20% PEG 6000, 0.1 M HEPES, pH 8.2