4LEX

Unliganded crystal structure of mAb7

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	CCD
Collection date	2010-08-25
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97946
Spacegroup name	P 21 2 21
Unit cell lengths	59.069, 84.184, 88.959
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.209 - 2.020
R-factor	0.187
Rwork	0.185
R-free	0.21850
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1fvd
RMSD bond length	0.006
RMSD bond angle	1.110
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (1.6.4_486)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.090
High resolution limit [Å]	2.020	4.350	2.020
Rmerge	0.090	0.069	0.219
Number of reflections	27181
<I/σ(I)>	11.3
Completeness [%]	90.9	85.4	92.8
Redundancy	5.3	5.3	5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	298	0.1M HEPES, 30.0% Jeffamine ED-2001 (v/v) at 15 mg/mL, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K