4MEL

Crystal Structure of the human USP11 DUSP-UBL domains

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	100
Detector technology	CCD
Collection date	2010-12-16
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.873
Spacegroup name	P 1 21 1
Unit cell lengths	27.725, 131.982, 72.029
Unit cell angles	90.00, 96.71, 90.00

Refinement procedure

Resolution	37.474 - 2.899
R-factor	0.2341
Rwork	0.231
R-free	0.29670
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3jyu
RMSD bond length	0.003
RMSD bond angle	0.641
Data reduction software	XDS
Data scaling software	SCALA (3.3.20)
Phasing software	PHASER
Refinement software	PHENIX (1.8.2_1309)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	131.982	43.994	3.060
High resolution limit [Å]	2.899	9.170	2.900
Rmerge		0.042	0.832
Total number of observations		3213	15039
Number of reflections	11440
<I/σ(I)>	13.9	12.7	0.8
Completeness [%]	100.0	98.9	100
Redundancy	9.1	8.8	8.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	292	0.1 M MES/imidazole, 30 mM Na Nitrate, 30 mM Na phosphate and 30 mM Na sulphate, 12.5% w/v PEG 1000, 12.5% w/v PEG 3350, 12.5% v/v MPD., pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 292K