6NFE

Crystal Structure of Ribose-phosphate Pyrophosphokinase from Legionella pneumophila with bound AMP, ADP, and Ribose-5-Phosphate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2018-04-12
Detector	RAYONIX MX-300
Wavelength(s)	0.97872
Spacegroup name	P 3 2 1
Unit cell lengths	109.000, 109.000, 97.300
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	43.245 - 1.750
R-factor	0.1525
Rwork	0.152
R-free	0.17640
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4s2u
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MoRDa
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	43.245	43.245	1.800
High resolution limit [Å]	1.750	7.830	1.750
Rmerge	0.072	0.046	0.455
Rmeas	0.077	0.050	0.491
Total number of observations	504098
Number of reflections	67559	835	4973
<I/σ(I)>	18.78	35.43	5.38
Completeness [%]	99.9	97.5	100
Redundancy	7.462	6.623	7.462
CC(1/2)	0.998	0.998	0.916

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.2	290	LepnA.00035.a.B1.PS38405 at 19.13 mg/ml was incubated with 4 mM ribose-5-phosphate, 4 mM ATP, and 4 mM MgCl2 then was mixed 1:1 JCSG+(b6): 40% (v/v) reagent alcohol, 100 mM sodium phosphate dibasic/citric acid pH 4.2. Tray: 298764b6, puck: uya9-9.