6XUN

Ab 5b1 bound to CA19-9

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-11-29
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.873313
Spacegroup name	P 31
Unit cell lengths	152.540, 152.540, 60.887
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	47.584 - 2.410
R-factor	0.1708
Rwork	0.169
R-free	0.21470
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6xtg
Data reduction software	xia2
Data scaling software	Aimless (0.7.3)
Phasing software	PHASER
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.584	47.580	2.490
High resolution limit [Å]	2.410	9.330	2.410
Rmerge	0.139	0.034	1.093
Rmeas	0.155	0.038	1.216
Rpim	0.068	0.017	0.530
Total number of observations		5199	29836
Number of reflections	61056	1045	5894
<I/σ(I)>	9.3	34.1	1.4
Completeness [%]	99.8	98.5	98.1
Redundancy	5.1	5	5.1
CC(1/2)	0.995	0.999	0.508

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293.15	NaCl, Bis tris propane pH9, PEG 1500