4DBG

Crystal structure of HOIL-1L-UBL complexed with a HOIP-UBA derivative

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL44XU
Synchrotron site	SPring-8
Beamline	BL44XU
Temperature [K]	100
Detector technology	CCD
Collection date	2009-02-16
Detector	Bruker DIP-6040
Wavelength(s)	0.9000
Spacegroup name	P 31 2 1
Unit cell lengths	64.973, 64.973, 161.291
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	56.270 - 2.710
R-factor	0.2199
Rwork	0.218
R-free	0.25250
Structure solution method	MAD
RMSD bond length	0.018
RMSD bond angle	1.785
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	SHARP
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	300.000	300.000	2.800
High resolution limit [Å]	2.700	5.820	2.700
Rmerge	0.103	0.071	0.332
Number of reflections	20666
<I/σ(I)>	18.8
Completeness [%]	99.9	99.5	100
Redundancy	5.7	5.4	5.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	15%(w/v) PEG6000, 0.1M KCl, 0.1M HEPES-Na buffer, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293.0K
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	15%(w/v) PEG6000, 0.1M KCl, 0.1M HEPES-Na buffer, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293.0K