9AXS

Crystal Structure of HY18-5B1_Ch Fab in the Apo Conformation

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.1
Synchrotron site	ALS
Beamline	5.0.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-09-08
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.97918
Spacegroup name	C 1 2 1
Unit cell lengths	94.328, 61.321, 76.576
Unit cell angles	90.00, 103.88, 90.00

Refinement procedure

Resolution	45.790 - 2.040
R-factor	0.2023
Rwork	0.200
R-free	0.23540
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.516
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.080
High resolution limit [Å]	2.040	5.540	2.040
Rmerge	0.097	0.085	0.357
Rmeas	0.116	0.102	0.429
Rpim	0.063	0.056	0.236
Total number of observations	85519
Number of reflections	26804	1400	1337
<I/σ(I)>	11.1
Completeness [%]	98.8	99.1	99
Redundancy	3.2	3.2	3.1
CC(1/2)	0.974	0.973	0.710

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		295	27% PEG 8000, 0.02M cobalt chloride, 0.15M ammonium sulfate