3IET

Crystal Structure of 237mAb with antigen

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-002+
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2007-05-13
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	C 1 2 1
Unit cell lengths	277.910, 38.240, 95.910
Unit cell angles	90.00, 108.99, 90.00

Refinement procedure

Resolution	19.860 - 2.200
R-factor	0.2293
Rwork	0.227
R-free	0.27120
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1m71
RMSD bond length	0.006
RMSD bond angle	1.187
Data reduction software	d*TREK
Data scaling software	d*TREK
Phasing software	PHASER
Refinement software	PHENIX (1.4_4)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	19.860	19.860	2.280
High resolution limit [Å]	2.200	4.720	2.200
Rmerge	0.070	0.042	0.328
Number of reflections	48616
<I/σ(I)>	12.6	25.7	4.8
Completeness [%]	98.5	99.5	99.7
Redundancy	7.96	8.04	8.16

Crystallization Conditions

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