4I43

Crystal structure of Prp8:Aar2 complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	CCD
Collection date	2012-06-27
Detector	ADSC QUANTUM 315r
Spacegroup name	C 2 2 21
Unit cell lengths	118.856, 158.595, 220.507
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.300 - 2.000
R-factor	0.201
Rwork	0.198
R-free	0.24900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3sbt 2og4
RMSD bond length	0.006
RMSD bond angle	0.947
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.7.0032)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.300	2.050
High resolution limit [Å]	2.000	2.000
Rmerge		0.013
Number of reflections	139972
<I/σ(I)>		1.5
Completeness [%]	99.9	100
Redundancy		5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		7.9	293	7-9% PEG8000 0.1M sodium citrate 0.05-0.15M ammonium sulfate , pH 7.9, VAPOR DIFFUSION, SITTING DROP, temperature 293K