6Y1K

Crystal structure of the unmodified A.17 antibody FAB fragment - L47R mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P14 (MX2)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P14 (MX2)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2012-12-12
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.976300
Spacegroup name	P 1 21 1
Unit cell lengths	52.722, 66.887, 66.950
Unit cell angles	90.00, 107.65, 90.00

Refinement procedure

Resolution	29.620 - 1.650
R-factor	0.1869
Rwork	0.185
R-free	0.21710
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2xza
RMSD bond length	0.004
RMSD bond angle	0.960
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.620	1.630
High resolution limit [Å]	1.600	1.600
Number of reflections	57914	2865
<I/σ(I)>	9.7
Completeness [%]	99.0
Redundancy	4.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.1M ADA, pH 7.5 0.16M MgCl2 16% PEG 6K