5LTK

Crystal structure of the Prp43-ADP-BeF3 complex (in hexagonal space group)

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	2015-10-26
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.97625
Spacegroup name	P 65
Unit cell lengths	184.342, 184.342, 82.317
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	92.171 - 3.241
R-factor	0.1846
Rwork	0.182
R-free	0.21660
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5lta
RMSD bond length	0.003
RMSD bond angle	0.672
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	92.171	3.390
High resolution limit [Å]	3.240	3.240
Rmerge	0.098	0.762
Number of reflections	25305
<I/σ(I)>	14.65	2.26
Completeness [%]	98.8	94.9
Redundancy	4	3.59
CC(1/2)	0.998	0.638

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	293	40 % (v/v) pentaerythritol propoxylate (5/4 PO/OH), 6 % (v/v) ethanol, 16 % (v/v) glycerine and 100 mM Tris/HCl pH 8.0