9DR4

Crystal structure of bifunctional GlmU from Staphylococcus aureus NCTC 8325 complexed with UTP, CoA and Glc 1-P

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-10-27
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9537
Spacegroup name	H 3 2
Unit cell lengths	94.883, 94.883, 262.532
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	39.210 - 1.850
R-factor	0.1767
Rwork	0.175
R-free	0.21280
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.024
Data reduction software	XDS
Data scaling software	Aimless (0.7.15)
Phasing software	PHASER (2.8.3)
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.210	1.890
High resolution limit [Å]	1.850	1.850
Rmerge	0.239	3.603
Rmeas	0.245	3.695
Rpim	0.054	0.814
Total number of observations	796494	49237
Number of reflections	39284	2410
<I/σ(I)>	12.1	1.2
Completeness [%]	100.0
Redundancy	20.3	20.4
CC(1/2)	0.998	0.526

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		289.15	0.2M lithium citrate tribasic tetrahydrate, 15 - 20% PEG3350