5WL2

VH1-69 germline antibody with CDR H3 sequence of CR9114

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	77.2
Detector technology	PIXEL
Collection date	2017-02-22
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.97946
Spacegroup name	P 32
Unit cell lengths	71.125, 71.125, 185.705
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	43.663 - 2.000
R-factor	0.2017
Rwork	0.200
R-free	0.23560
RMSD bond length	0.009
RMSD bond angle	1.111
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.663	1.960
High resolution limit [Å]	1.890	1.890
Rmerge	0.060
Rpim	0.030	0.430
Number of reflections	81962	4107
<I/σ(I)>	11.5	1.3
Completeness [%]	98.9	97.3
Redundancy	4.5	3.8
CC(1/2)	1.000	0.610

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277.15	0.095 M sodium citrate pH 5.6 19% 2-propanol 5% (v/v) glycerol 19% (w/v) PEG4000