7XQL

complex structure of LegA15 with GNP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	80
Detector technology	PIXEL
Collection date	2020-06-14
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9789
Spacegroup name	P 21 21 21
Unit cell lengths	75.606, 77.833, 170.656
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.602 - 2.272
R-factor	0.182
Rwork	0.180
R-free	0.22700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7ew8
RMSD bond length	0.008
RMSD bond angle	0.841
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHASER
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	34.602	2.353
High resolution limit [Å]	2.272	2.272
Rmerge	0.023	0.096
Rmeas	0.033	0.136
Rpim	0.023	0.096
Number of reflections	46821	4427
<I/σ(I)>	18.55	6.86
Completeness [%]	99.1	95.08
Redundancy	2	2
CC(1/2)	0.999	0.973

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	Ammonium acetate, sodium citrate pH 5.6, PEG 4000