6LUR

Human PUF60 UHM domain (thioredoxin fusion) in complex with a small molecule binder

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-5A
Synchrotron site	Photon Factory
Beamline	BL-5A
Temperature [K]	100
Detector technology	CCD
Collection date	2013-04-17
Detector	ADSC QUANTUM 315r
Wavelength(s)	1
Spacegroup name	P 21 21 21
Unit cell lengths	77.019, 90.590, 288.928
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.000
R-factor	0.2033
Rwork	0.201
R-free	0.25260
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3dxb
RMSD bond length	0.007
RMSD bond angle	1.420
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (5.8.0253)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	20.000	20.000	2.020
High resolution limit [Å]	1.900	5.670	1.900
Rmerge	0.094	0.038	0.836
Rmeas	0.116	0.046	1.105
Total number of observations	774605
Number of reflections	136075	11401	34559
<I/σ(I)>	6.95	21.39	0.71
Completeness [%]	93.2	98.7	69.5
Redundancy	2.708	3.147	1.48
CC(1/2)	0.994	0.997	0.468

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	1.3-1.6M AmSO4, 0.2M potassium formate