5UMG

Crystal structure of dihydropteroate synthase from Klebsiella pneumoniae subsp.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-11-04
Detector	DECTRIS PILATUS3 X 6M
Wavelength(s)	0.97922
Spacegroup name	P 43 21 2
Unit cell lengths	78.313, 78.313, 150.324
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.582 - 2.601
R-factor	0.2109
Rwork	0.208
R-free	0.26540
Structure solution method	SAD
RMSD bond length	0.002
RMSD bond angle	0.411
Data reduction software	HKL-3000
Data scaling software	SCALEPACK
Phasing software	HKL-3000
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	44.582	50.000	2.640
High resolution limit [Å]	2.600	7.050	2.600
Rmerge	0.171	0.066	1.175
Rmeas	0.179	0.070	1.286
Rpim	0.052	0.021	0.509
Total number of observations	162490
Number of reflections	14823
<I/σ(I)>	5.2
Completeness [%]	98.2	99.8	88.9
Redundancy	11	10.9	5.6
CC(1/2)		0.995	0.656

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	289	0.8 M Lithium Chloride, 0.1 M Tris-Cl, 32% PEG 4000