5ADP

Crystal structure of the A.17 antibody FAB fragment - Light chain S35R mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE X13
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	X13
Temperature [K]	10
Detector technology	CCD
Collection date	2011-12-08
Detector	MARRESEARCH MAR 165
Spacegroup name	P 1 21 1
Unit cell lengths	52.547, 67.040, 66.950
Unit cell angles	90.00, 107.63, 90.00

Refinement procedure

Resolution	19.360 - 2.130
R-factor	0.181
Rwork	0.179
R-free	0.22000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2xza
RMSD bond length	0.003
RMSD bond angle	0.800
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	PHENIX ((PHENIX.REFINE))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.420	2.200
High resolution limit [Å]	2.130	2.130
Rmerge	0.040	0.270
Number of reflections	24223
<I/σ(I)>	19.1	4.5
Completeness [%]	97.7	92.2
Redundancy	3.2	2.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		6.5		0.15 M MGCL2 18% (W/V) POLYETHYLENE GLYCOL 6000 0.1 M N-(2-ACETAMIDO) IMINODIACETIC ACID (ADA) PH 7.5