8DRF

Zn(II)-bound B2 dimer (H60/H100/H104)

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	2019-10-13
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97741
Spacegroup name	P 2 21 21
Unit cell lengths	39.500, 52.120, 58.510
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.920 - 1.700
R-factor	0.2154
Rwork	0.212
R-free	0.24210
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2bc5
RMSD bond length	0.007
RMSD bond angle	0.870
Data reduction software	iMOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.15.2_3472)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.920	1.761
High resolution limit [Å]	1.700	1.700
Rmerge	0.025	0.075
Rmeas	0.036	0.107
Rpim	0.025	0.075
Number of reflections	19771	27680
<I/σ(I)>	22.06	8.37
Completeness [%]	99.1	99.85
Redundancy	2	2
CC(1/2)	0.999	0.989

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	298	PEG3350 7%, (NH4)2SO4 200 mM, MES 100 mM