6K8D

UDP-glucose pyrophosphorylase with UPG from Acinetobacter Baumanii

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 5C (4A)
Synchrotron site	PAL/PLS
Beamline	5C (4A)
Temperature [K]	100
Detector technology	CCD
Collection date	2018-11-17
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97940
Spacegroup name	P 21 21 21
Unit cell lengths	110.525, 114.382, 114.374
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.470 - 2.940
R-factor	0.2216
Rwork	0.218
R-free	0.27960
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5j49
RMSD bond length	0.005
RMSD bond angle	1.484
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0232)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	3.000
High resolution limit [Å]	2.950	8.000	2.950
Rmerge	0.101	0.052	0.389
Rmeas	0.113	0.057	0.472
Rpim	0.047	0.022	0.261
Total number of observations	142270
Number of reflections	30489	1683	1414
<I/σ(I)>	8.6
Completeness [%]	97.1	98.1	92.1
Redundancy	4.7	6.4	2.7
CC(1/2)		0.997	0.087

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION	7.5	287	0.5M Ammonium sulfate, 0.1M BIS-TRIS pH 6.5 and 24% PEG 3350