6UUM

Crystal structure of antibody 438-B11 DSS mutant (Cys98A-Cys100aA)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-10-26
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.033
Spacegroup name	P 1 21 1
Unit cell lengths	104.151, 66.197, 108.856
Unit cell angles	90.00, 117.96, 90.00

Refinement procedure

Resolution	48.080 - 2.100
R-factor	0.2303
Rwork	0.229
R-free	0.26850
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5wl2
RMSD bond length	0.003
RMSD bond angle	0.594
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.140
High resolution limit [Å]	2.100	2.100
Rpim	0.070	0.520
Number of reflections	76942	3836
<I/σ(I)>	9.1	1.2
Completeness [%]	99.9
Redundancy	5.8
CC(1/2)	0.840	0.460

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277.15	0.1M sodium acetate (pH=4.16), 0.2M lithium sulfate, 40% %(v/v) PEG400