6IKX

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	118.598, 118.598, 108.784
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.720 - 2.200
R-factor	0.2181
Rwork	0.214
R-free	0.29240
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5j49
RMSD bond length	0.010
RMSD bond angle	1.874
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	2.240
High resolution limit [Å]	2.200	5.970	2.200
Rmerge	0.107	0.072	0.478
Rmeas	0.112	0.074	0.526
Rpim	0.029	0.019	0.209
Total number of observations	446063
Number of reflections	39722	2173	1932
<I/σ(I)>	10
Completeness [%]	99.4	98.5	98.4
Redundancy	11.2	15.7	5.5
CC(1/2)		0.998	0.078

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