6F0D

Crystal structure of a llama VHH antibody BCD090-M2 against human ErbB3 in space group P1 with cadmium ions

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SEALED TUBE
Source details	BRUKER IMUS MICROFOCUS
Temperature [K]	293.15
Detector technology	CCD
Collection date	2017-10-23
Detector	APEX II CCD
Wavelength(s)	1.54184
Spacegroup name	P 1
Unit cell lengths	35.766, 41.526, 46.487
Unit cell angles	89.99, 67.92, 76.06

Refinement procedure

Resolution	32.342 - 1.900
R-factor	0.178155788177
Rwork	0.174
R-free	0.21761
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6ezw
RMSD bond length	0.014
RMSD bond angle	1.531
Data reduction software	SAINT (V8.18C)
Data scaling software	SADABS (2008/1)
Phasing software	PHASER (2.7.16)
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	32.342	32.346	1.933
High resolution limit [Å]	1.900	5.151	1.900
Rmerge	0.144	0.074	0.833
Rmeas	0.150
Rpim	0.040
Number of reflections	18859	932	925
<I/σ(I)>	12.9301230207	46.9236154713	1.56474169635
Completeness [%]	100.0
Redundancy	13.0920515404	20.017167382	4.79135135135
CC(1/2)	0.997

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293.15	Protein solution: 17 mg/ml in 20 mM HEPES pH 7.5, 50 mM NaCl Reservoir solution: 0.1 M MES pH 6.5, 12% w/v PEG 3350, 5 mM CdSO4