5SUQ

Crystal structure of the THO-Sub2 complex

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	PIXEL
Collection date	2013-08-15
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	1.2123
Spacegroup name	P 1 21 1
Unit cell lengths	153.339, 319.534, 176.444
Unit cell angles	90.00, 100.96, 90.00

Refinement procedure

Resolution	49.570 - 6.000
R-factor	0.436
Rwork	0.436
R-free	0.43400
Starting model (for MR)	5sup
RMSD bond length	0.010
RMSD bond angle	1.408
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX ((1.10_2155))

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	6.000
Rmerge	0.140
Number of reflections	41038
<I/σ(I)>	13.3
Completeness [%]	98.8
Redundancy	6.5
CC(1/2)	0.993

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION	8.4	289	100 mM Tris-HCl (pH 8.4), 17.5% PEG3350, 2% methanol, 0.3 M NDSB-195