6X5E

Crystal structure of a Lewis-binding Fab (ch88.2)

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	2019-06-29
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.954
Spacegroup name	P 1
Unit cell lengths	38.423, 68.480, 91.750
Unit cell angles	110.50, 99.29, 90.01

Refinement procedure

Resolution	33.490 - 2.290
R-factor	0.2329
Rwork	0.230
R-free	0.28410
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4x80
RMSD bond length	0.007
RMSD bond angle	1.004
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.400
High resolution limit [Å]	2.290	2.290
Rmeas	0.070	0.880
Number of reflections	44428	6787
<I/σ(I)>	7.9
Completeness [%]	92.6
Redundancy	1.8
CC(1/2)	0.998	0.719

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	291	PEG MME 200, Tris, Nickel (II) chloride