5XZJ

Crystal structure of the Zn-directed tetramer of the engineered cyt cb562 variant, C96T/AB5

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-04-18
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.00
Spacegroup name	P 21 21 21
Unit cell lengths	60.747, 63.481, 127.785
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	63.890 - 1.980
R-factor	0.1788
Rwork	0.177
R-free	0.21740
RMSD bond length	0.014
RMSD bond angle	1.507
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.22)
Phasing software	PHASER
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	63.893	35.370	2.090
High resolution limit [Å]	1.980	6.260	1.980
Rmerge		0.023	0.510
Rmeas	0.064	0.025	0.559
Rpim	0.026	0.011	0.226
Total number of observations	203462
Number of reflections	35176
<I/σ(I)>	17.8	23.8	1.4
Completeness [%]	99.9	99.2	100
Redundancy	5.8	5	6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	298	45% 2-methyl-2,4-pentanediol 400, 0.1M HEPES, pH 6.5