7DC7

Crystal structure of D12 Fab-ATP complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-17A
Synchrotron site	Photon Factory
Beamline	BL-17A
Temperature [K]	95
Detector technology	PIXEL
Collection date	2018-05-23
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.98000
Spacegroup name	P 21 21 21
Unit cell lengths	62.962, 68.085, 102.993
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.072 - 1.770
R-factor	0.1788
Rwork	0.177
R-free	0.21990
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4nki
Data reduction software	XDS
Data scaling software	Aimless (0.7.1)
Phasing software	PHASER
Refinement software	PHENIX (1.14_3235)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	56.800	56.800	1.860
High resolution limit [Å]	1.770	5.590	1.770
Rmerge	0.071	0.036	0.601
Rmeas	0.077	0.039	0.650
Rpim	0.030	0.016	0.245
Number of reflections	40596	1548	6343
<I/σ(I)>	14.9
Completeness [%]	92.0	99.8	100
Redundancy	6.6	5.8	6.9
CC(1/2)	0.999	0.997	0.858

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	8	294	0.1 M HEPES, 32.5 %(w/v) Jeffamine ED-2001