8ITN

Crystal structure of USP47apo catalytic domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 5C (4A)
Synchrotron site	PAL/PLS
Beamline	5C (4A)
Temperature [K]	298
Detector technology	CCD
Collection date	2013-08-02
Detector	ADSC QUANTUM 210r
Wavelength(s)	0.9795
Spacegroup name	C 1 2 1
Unit cell lengths	94.077, 58.908, 251.932
Unit cell angles	90.00, 96.69, 90.00

Refinement procedure

Resolution	35.500 - 2.600
R-factor	0.2586
Rwork	0.258
R-free	0.26940
Structure solution method	SAD
RMSD bond length	0.002
RMSD bond angle	0.503
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	PHENIX (1.20.1-4487)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	6.500	2.690
High resolution limit [Å]	2.600	5.600	2.600
Rmerge	0.073	0.032	0.291
Total number of observations	223996
Number of reflections	41388	8250	7584
<I/σ(I)>	9.4
Completeness [%]	93.3	99.3	90.1
Redundancy	2.9	3.6	2.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	277	0.2 M imidazole-malate (pH 5.5) and 18% (v/v) PEG 4000