6IKZ

UDP-glucose pyrophosphorylase 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	2018-05-02
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97940
Spacegroup name	P 41 21 2
Unit cell lengths	119.025, 119.025, 108.244
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.980 - 2.330
R-factor	0.2357
Rwork	0.232
R-free	0.29790
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5j49
RMSD bond length	0.009
RMSD bond angle	1.683
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	2.180
High resolution limit [Å]	2.140	5.810	2.140
Rmerge	0.094	0.066	0.491
Rmeas	0.097	0.068	0.536
Rpim	0.026	0.017	0.209
Total number of observations	499943
Number of reflections	42093	2024	2083
<I/σ(I)>	15
Completeness [%]	97.8	85.1	98.8
Redundancy	11.9	15.2	5.9
CC(1/2)		0.996	0.358

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION	7.5	287	1.5M Ammonium citrate, 0.1M BIS-TRIS pH 6.13 and 0.1M NaCl