6UY3

Structure of anti-hCD33 conditional scFv with methotrexate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-06-12
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.0
Spacegroup name	I 21 3
Unit cell lengths	118.992, 118.992, 118.992
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	59.500 - 2.000
R-factor	0.1903
Rwork	0.189
R-free	0.22060
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6uup
RMSD bond length	0.002
RMSD bond angle	0.515
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	59.500	2.073
High resolution limit [Å]	2.000	2.000
Number of reflections	18953	1883
<I/σ(I)>	21.68
Completeness [%]	99.3
Redundancy	19
CC(1/2)	0.999	0.645

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.15M Cesium chloride, 15% w/v PEG 3350