8CP9

1,6-anhydro-n-actetylmuramic acid kinase (AnmK)in complex with non-hydrolyzable AMPPNP.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALBA BEAMLINE XALOC
Synchrotron site	ALBA
Beamline	XALOC
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-12-16
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97926
Spacegroup name	P 63
Unit cell lengths	89.940, 89.940, 176.958
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	47.024 - 2.200
Rwork	0.183
R-free	0.23100
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	1.159
Data reduction software	XDS (v0.86)
Data scaling software	Aimless (0.7.9)
Phasing software	PHASER (2.8.3)
Refinement software	REFMAC (5.8.0352)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.024	2.270
High resolution limit [Å]	2.200	2.200
Rmerge	0.099	1.717
Number of reflections	41089	3557
<I/σ(I)>	21	2.2
Completeness [%]	100.0	100
Redundancy	20.8	21.3
CC(1/2)	0.999	0.701

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	20% PEG 3350, Na/K tartrate 0.2M