6UG7

Complex of ch28/11 Fab and SSEA-4 (tetragonal form)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-04-16
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.954
Spacegroup name	P 41 21 2
Unit cell lengths	67.795, 67.795, 234.040
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 1.520
R-factor	0.1729
Rwork	0.172
R-free	0.19790
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1a7n 3iu4
RMSD bond length	0.018
RMSD bond angle	1.894
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	REFMAC (5.8.0155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.600
High resolution limit [Å]	1.520	1.500
Rmeas	0.100	0.480
Number of reflections	84916	13419
<I/σ(I)>	15.8
Completeness [%]	99.9
Redundancy	13.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.6	291	PEG 4000, sodium acetate, ammonium sulfate