5EJT

Thermally annealed ferryl Cytochrome C Peroxidase crystal structure

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-1
Synchrotron site	SSRL
Beamline	BL9-1
Temperature [K]	100
Detector technology	CCD
Collection date	2010-07-16
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.954
Spacegroup name	P 21 21 21
Unit cell lengths	107.330, 75.190, 51.150
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.350 - 1.550
R-factor	0.1541
Rwork	0.153
R-free	0.17660
RMSD bond length	0.010
RMSD bond angle	0.890
Data reduction software	XDS (March 1, 2015)
Data scaling software	Aimless (0.5.8)
Phasing software	PHASER (2.5.6)
Refinement software	BUSTER (2.10.2)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.350	1.580
High resolution limit [Å]	1.550	1.550
Rmerge	0.129	2.493
Number of reflections	60803
<I/σ(I)>	14.5	0.8
Completeness [%]	100.0	99.1
Redundancy	11.9	9

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