6WIY

Crystal structure of Fab 54-1G05

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-10-10
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.0332
Spacegroup name	P 2 21 21
Unit cell lengths	60.909, 79.092, 107.645
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.258 - 1.650
R-factor	0.1593
Rwork	0.158
R-free	0.18790
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4fqh
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.710
High resolution limit [Å]	1.650	3.550	1.650
Rmerge	0.077	0.038	0.862
Rmeas	0.080	0.040	0.899
Rpim	0.022	0.011	0.252
Total number of observations	802134
Number of reflections	62699	6655	6106
<I/σ(I)>	4.9
Completeness [%]	99.3	100	98.3
Redundancy	12.8	12.6	12.3
CC(1/2)		0.999	0.839

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	20% PEG 8000, 0.2 M NaCl, and 0.1 M phosphate-citrate pH 4.2