4OYJ

Structure of the apo HOIP PUB domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-03-10
Detector	PSI PILATUS 6M
Wavelength(s)	0.9794
Spacegroup name	C 1 2 1
Unit cell lengths	155.190, 99.540, 173.730
Unit cell angles	90.00, 99.90, 90.00

Refinement procedure

Resolution	62.605 - 3.000
R-factor	0.2094
Rwork	0.207
R-free	0.25450
RMSD bond length	0.003
RMSD bond angle	0.753
Refinement software	PHENIX ((phenix.refine: 1.8.4_1496))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	62.750	3.090
High resolution limit [Å]	3.000	3.000
Rmerge	0.126	0.451
Number of reflections	51318
<I/σ(I)>	6.9	2.3
Completeness [%]	98.1	98.7
Redundancy	2.8	2.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	295	1.3 M ammonium sulphate, 200 mM KI, 100 mM Tris, pH 8.5