6XUL

Apo Ab 5b1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-11-30
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.87313
Spacegroup name	P 32
Unit cell lengths	155.018, 155.018, 121.781
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	47.882 - 2.410
R-factor	0.1688
Rwork	0.168
R-free	0.22950
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Holo Ab 5b1
Data reduction software	xia2
Data scaling software	Aimless (0.7.3)
Phasing software	PHASER
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.882	47.880	2.490
High resolution limit [Å]	2.410	9.330	2.410
Rmerge	0.148	0.046	1.042
Rmeas	0.174	0.055	1.226
Rpim	0.092	0.029	0.640
Total number of observations		6990	44660
Number of reflections	126118	2067	12459
<I/σ(I)>	6.6	18.8	1.1
Completeness [%]	99.7	94.6	100
Redundancy	3.5	3.4	3.6
CC(1/2)	0.991	0.997	0.476

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293.15	NaCl, Bis tris propane pH9, PEG 1500