6XUK

AbLIFT design 15 of Ab 1116NS19.9

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-08-29
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97371
Spacegroup name	P 43 21 2
Unit cell lengths	64.936, 64.936, 244.109
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	62.754 - 1.420
R-factor	0.1505
Rwork	0.149
R-free	0.18460
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3u7w
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHASER
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	62.754	62.750	1.460
High resolution limit [Å]	1.420	6.350	1.420
Rmerge	0.099	0.050	1.066
Rmeas	0.109	0.056	1.179
Rpim	0.043	0.024	0.490
Total number of observations		7279	38874
Number of reflections	99787	1352	7241
<I/σ(I)>	7.9	19.5	1.1
Completeness [%]	100.0	100	99.7
Redundancy	6.1	5.4	5.4
CC(1/2)	0.997	0.995	0.558

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293.15	Ammonium citrate, Immidazole pH7, PEG 2K