6X8N

Crystal Structure of H49A ABLE mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.3.1
Synchrotron site	ALS
Beamline	8.3.1
Temperature [K]	80
Detector technology	PIXEL
Collection date	2020-02-13
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1.04457
Spacegroup name	P 1
Unit cell lengths	36.750, 46.440, 47.000
Unit cell angles	90.13, 117.66, 106.89

Refinement procedure

Resolution	43.851 - 1.600
R-factor	0.2067
Rwork	0.205
R-free	0.24040
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	apo ABLE
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.851	1.657
High resolution limit [Å]	1.600	1.600
Number of reflections	32545	3202
<I/σ(I)>	7.91
Completeness [%]	94.7
Redundancy	3.5
CC(1/2)	0.998	0.612

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.6	298	0.03 M Citric acid, 0.07 M BIS-TRIS propane / pH 7.6 with 20% w/v Polyethylene glycol 3,350 (Hampton PEG/Ion 2 screen condition 40)