6HX4

Fab fragment of a native monomer-selective antibody in complex with alpha-1-antitrypsin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID30B
Synchrotron site	ESRF
Beamline	ID30B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-04-21
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9763
Spacegroup name	C 1 2 1
Unit cell lengths	247.480, 36.750, 201.780
Unit cell angles	90.00, 126.07, 90.00

Refinement procedure

Resolution	39.690 - 2.950
R-factor	0.2335
Rwork	0.231
R-free	0.27660
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1mf2 1qlp
RMSD bond length	0.002
RMSD bond angle	0.512
Data reduction software	xia2 (0.5.474)
Data scaling software	Aimless (0.6.2)
Phasing software	PHASER (2.6.1)
Refinement software	PHENIX (1.13-2998)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	39.690	39.690	3.000
High resolution limit [Å]	2.950	7.990	2.950
Rmerge	0.095	0.029	0.894
Rmeas	0.114	0.035	1.065
Rpim	0.062	0.020	0.573
Number of reflections	31780	1729	1472
<I/σ(I)>	10.3	27.8	1.4
Completeness [%]	99.1	98.24	93.34
Redundancy	3.23	2.8	3.22
CC(1/2)	0.997	0.998	0.447

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	291	15% PEG 4000, 0.1M sodium cacodylate pH 6