6LDG

Crystal structure of the Zn-directed tetramer of the engineered cyt cb 562 variant, C96I AB5

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 7A (6B, 6C1)
Synchrotron site	PAL/PLS
Beamline	7A (6B, 6C1)
Temperature [K]	100
Detector technology	CCD
Collection date	2019-03-26
Detector	ADSC QUANTUM 270
Wavelength(s)	0.987
Spacegroup name	P 61 2 2
Unit cell lengths	53.723, 53.723, 250.757
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	28.380 - 1.980
R-factor	0.1706
Rwork	0.168
R-free	0.22130
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3iq6
RMSD bond length	0.015
RMSD bond angle	1.709
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0253)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	28.380	2.010
High resolution limit [Å]	1.980	1.980
Number of reflections	15931	760
<I/σ(I)>	105.8
Completeness [%]	99.8	100
Redundancy	40	40.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	298	25% PEG 3350, 100 mM HEPES pH 7.5, 200 mM sodium chloride