4PBD

Crystal structure of the N-terminal CS domain of human Shq1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	CCD
Collection date	2011-12-04
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97918
Spacegroup name	P 41 21 2
Unit cell lengths	41.610, 41.610, 132.180
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.877 - 1.680
R-factor	0.2055
Rwork	0.204
R-free	0.24340
Structure solution method	SAD
RMSD bond length	0.007
RMSD bond angle	1.142
Data reduction software	XDS
Phasing software	PHASER (2.5.5)
Refinement software	PHENIX ((phenix.refine: 1.8.4_1496))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	39.690		1.720
High resolution limit [Å]	1.680	7.510	1.680
Rmerge	0.053	0.032	0.561
Rmeas	0.077	0.037	0.635
Total number of observations	112617
Number of reflections	24666	265	1860
<I/σ(I)>	19.07	25.38	2.4
Completeness [%]	97.5	92	98.8
Redundancy	4.56

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.6	291	0.2 M ammonium tartrate dibasic, 20% PEG3350