5LTJ

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P14 (MX2)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P14 (MX2)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-04-16
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.97625
Spacegroup name	P 21 21 21
Unit cell lengths	88.826, 105.637, 119.050
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	67.986 - 1.780
R-factor	0.177
Rwork	0.177
R-free	0.19890
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5lta
RMSD bond length	0.004
RMSD bond angle	0.870
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]	79.020	1.890
High resolution limit [Å]	1.780	1.780
Rmerge	0.072	1.235
Number of reflections	107277
<I/σ(I)>	14.88	1.64
Completeness [%]	99.6	98.8
Redundancy	4.71	4.66
CC(1/2)	0.999	0.619

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	277	35 % (v/v) MPD, 1.67 % (w/v) PEG 4000 and 100 mM Na HEPES pH 7.0