8AAZ

High resolution X-ray analysis of ATP lysozyme complex in the presence of 80 mM ATP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-11-22
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.98
Spacegroup name	P 43 21 2
Unit cell lengths	78.389, 78.389, 38.114
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.190 - 1.270
R-factor	0.1415
Rwork	0.140
R-free	0.17130
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2lzt
RMSD bond length	0.007
RMSD bond angle	1.088
Data reduction software	xia2 (3.8.0-g3d570883-tags-v3.8.0-0)
Data scaling software	xia2 (3.8.0-g3d570883-tags-v3.8.0-0)
Phasing software	PHASER (2.8.3)
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.190	1.315
High resolution limit [Å]	1.270	1.270
Rmerge	0.052	0.232
Rmeas	0.052	0.235
Rpim	0.007	0.033
Number of reflections	31931	3125
<I/σ(I)>	50.22	10.3
Completeness [%]	100.0	100
Redundancy	51.6	50.9
CC(1/2)	1.000	0.993

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	294	10 mM Tris-HCl pH 7.0, 80 mM Na2-ATP