4PJ3

Structural insight into the function and evolution of the spliceosomal helicase Aquarius, Structure of Aquarius in complex with AMPPNP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.2
Synchrotron site	BESSY
Beamline	14.2
Temperature [K]	100
Collection date	2012-07-29
Detector	CUSTOM-MADE
Wavelength(s)	0.979
Spacegroup name	P 21 21 21
Unit cell lengths	94.986, 140.444, 144.761
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.493 - 2.300
R-factor	0.1925
Rwork	0.191
R-free	0.22630
Structure solution method	SAD
RMSD bond length	0.003
RMSD bond angle	0.739
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELX
Refinement software	PHENIX ((phenix.refine: 1.8.4_1496))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000		2.400
High resolution limit [Å]	2.300	10.000	2.300
Rmerge	0.093	0.031	0.543
Rmeas	0.099	0.034	0.581
Total number of observations	1310360
Number of reflections	20004	2020	20004
<I/σ(I)>	18.65	53.56	4.23
Completeness [%]	100.0	99.2	100
Redundancy	7.84

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6.5	293	MES, PEG MME 550