5LU4

C4-type pyruvate phosphate dikinase: conformational intermediate of central domain in the swiveling mechanism

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P13 (MX1)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-05-24
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9686
Spacegroup name	P 21 21 21
Unit cell lengths	74.159, 126.515, 218.998
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	109.790 - 2.900
R-factor	0.2492
Rwork	0.247
R-free	0.28640
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5jvl
RMSD bond length	0.017
RMSD bond angle	1.528
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER (2.6.1)
Refinement software	REFMAC (5.8.0155)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	219.000	219.000	3.000
High resolution limit [Å]	2.900	11.230	2.900
Rmerge	0.047	0.021	0.499
Number of reflections	46486
<I/σ(I)>	20.1
Completeness [%]	99.8	98.6	99.7
Redundancy	4.9	3.7	5.2
CC(1/2)	0.999	0.998	0.871

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	285.15	0.1 M MES (pH 6.5), 0.3 M MgCl2, 10% (w/v) PEG 4000