4ZFT

Catalytic domain of Sst2 F403W mutant bound to ubiquitin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	100
Detector technology	CCD
Collection date	2014-10-31
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.033
Spacegroup name	P 21 21 21
Unit cell lengths	56.820, 89.397, 117.822
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.191 - 2.304
R-factor	0.1942
Rwork	0.192
R-free	0.23480
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4k1r
RMSD bond length	0.009
RMSD bond angle	1.156
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	HKL-3000
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	71.300	2.340
High resolution limit [Å]	2.300	2.300
Rmerge	0.131	0.000
Number of reflections	27153
<I/σ(I)>	18.7	2.28
Completeness [%]	100.0	100
Redundancy	14.6	13.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.4	293	(0.04 M Citric acid, 0.06 M BIS-TRIS propane), 20% w/v PEG 3,350