3IF1

Crystal structure of 237mAb in complex with a GalNAc

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-002+
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2007-06-10
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.5418
Spacegroup name	C 1 2 1
Unit cell lengths	279.350, 38.420, 95.990
Unit cell angles	90.00, 109.11, 90.00

Refinement procedure

Resolution	19.930 - 2.390
R-factor	0.228
Rwork	0.224
R-free	0.28500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3iet
RMSD bond length	0.004
RMSD bond angle	0.846
Data scaling software	d*TREK
Refinement software	PHENIX (1.4_4)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	19.930	19.930	2.480
High resolution limit [Å]	2.390	5.120	2.390
Rmerge	0.073	0.046	0.271
Total number of observations		13926	12657
Number of reflections	38606
<I/σ(I)>	8.4	15.1	3.3
Completeness [%]	99.0	98.7	98.5
Redundancy	3.42	3.36	3.34

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	298	PEG MME 5000, ZnCl2, MgCl2, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K