6FOE

BaxB01 Fab fragment

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-3
Synchrotron site	ESRF
Beamline	MASSIF-3
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-12-01
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.96770
Spacegroup name	P 41 21 2
Unit cell lengths	102.700, 102.700, 188.690
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	69.478 - 2.600
R-factor	0.216
Rwork	0.214
R-free	0.26250
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4q9q
RMSD bond length	0.004
RMSD bond angle	0.675
Data reduction software	XDS (Version May 1, 2016)
Data scaling software	SCALA (3.3.22)
Phasing software	PHASER (2.6.1)
Refinement software	PHENIX (1.11.1-2575)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	72.620	72.620	2.740
High resolution limit [Å]	2.600	8.220	2.600
Rmerge	0.204	0.091	1.960
Rmeas	0.211	0.093	2.022
Rpim	0.049	0.020	0.480
Number of reflections	31799	1169	4522
<I/σ(I)>	10.6	4.8	0.4
Completeness [%]	99.7	99.9	99.3
Redundancy	17.4	21.9	16.4
CC(1/2)	0.995		0.630

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.4	293	100 mM Tris/HCl, 25% (w/v) PEG 3350