5EJX

X-ray Free Electron Laser Structure of Cytochrome C Peroxidase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	FREE ELECTRON LASER
Source details	SLAC LCLS BEAMLINE XPP
Synchrotron site	SLAC LCLS
Beamline	XPP
Temperature [K]	100
Detector technology	CCD
Collection date	2013-12-07
Detector	RAYONIX MX-325
Wavelength(s)	1.306, 1.313
Spacegroup name	P 21 21 21
Unit cell lengths	107.470, 74.990, 51.250
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.690 - 1.500
R-factor	0.23518
Rwork	0.234
R-free	0.26055
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3m23
RMSD bond length	0.019
RMSD bond angle	1.841
Data reduction software	XDS (nXDS)
Data scaling software	XSCALE (2015-06-17)
Phasing software	MOLREP (11.2.08)
Refinement software	REFMAC (5.8.0073)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.700	1.600
High resolution limit [Å]	1.500	1.500
Number of reflections	65592
<I/σ(I)>	3.33	2
Completeness [%]	97.8	93.8
Redundancy	9.2	5.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	277	10UL (350-400UM PROTEIN), 22% MPD, 50MM TRIS PHOSHATE BUFFER PH 6.0, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 277.2K