6W2W

Junction 24, DHR14-DHR18

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.2
Synchrotron site	ALS
Beamline	8.2.2
Temperature [K]	100
Detector technology	CCD
Collection date	2017-07-27
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.999989
Spacegroup name	P 21 21 21
Unit cell lengths	49.091, 49.675, 92.034
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.714 - 2.210
R-factor	0.2315
Rwork	0.229
R-free	0.25480
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Computational design model
RMSD bond length	0.002
RMSD bond angle	0.417
Data reduction software	HKL-2000 (2.3.10)
Data scaling software	HKL-2000 (2.3.10)
Phasing software	PHASER (2.8.0)
Refinement software	PHENIX (dev-2849)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.140
High resolution limit [Å]	2.100	5.700	2.100
Rmerge	0.074	0.032	1.326
Rmeas	0.082	0.035	1.507
Rpim	0.034	0.015	0.702
Total number of observations	77173
Number of reflections	13697	788	613
<I/σ(I)>	6.2
Completeness [%]	99.3	99.6	90.5
Redundancy	5.6	5.4	3.9
CC(1/2)		0.999	0.607

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	295.15	Crystals were grown in Qiagen JCSG+ suite condition D9 (0.19M Ammonium sulfate, 25.5% (w/v) PEG 4000, 15% (v/v) glycerol) and required no additional cryopreservation