6WZ0

Fe-bound structure of an engineered metal-dependent protein trimer, TriCyt2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.3.1
Synchrotron site	ALS
Beamline	8.3.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-03-15
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.953680
Spacegroup name	P 1 21 1
Unit cell lengths	48.206, 79.260, 49.916
Unit cell angles	90.00, 106.89, 90.00

Refinement procedure

Resolution	47.782 - 1.700
R-factor	0.1834
Rwork	0.182
R-free	0.21180
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2bc5
RMSD bond length	0.007
RMSD bond angle	0.841
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.14_3260: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.782	1.761
High resolution limit [Å]	1.700	1.700
Rmerge	0.433	0.499
Rmeas	0.470	0.540
Rpim	0.180	0.206
Number of reflections	76338	3931
<I/σ(I)>	2.94	2.11
Completeness [%]	98.7	99.7
Redundancy	6.3	6
CC(1/2)	0.910	0.860

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	298	25% PEG400, 0.2 M (NH4)2SO4, 0.1 M TRIS (pH 8.5)