6KNL

Uridine and triphosphate-bound UGPase from acinetobacter baumannii

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	119.464, 119.464, 108.374
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.350 - 2.320
R-factor	0.2256
Rwork	0.223
R-free	0.27990
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5j49
RMSD bond length	0.006
RMSD bond angle	1.512
Data reduction software	HKL-2000
Data scaling software	HKL-2000 (5.8.0238)
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.360
High resolution limit [Å]	2.320	6.290	2.320
Rmerge	0.143	0.086	0.479
Rmeas	0.147	0.088	0.516
Rpim	0.034	0.018	0.186
Total number of observations	490694
Number of reflections	34574	1887	1698
<I/σ(I)>	3.7
Completeness [%]	99.6	98	99.4
Redundancy	14.2	21.4	7.1
CC(1/2)		0.998	0.064

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