5H9M

Crystal structure of siah2 SBD domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2015-06-19
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97929
Spacegroup name	P 21 21 21
Unit cell lengths	53.624, 68.753, 102.884
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.010 - 1.761
R-factor	0.17885
Rwork	0.178
R-free	0.22677
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4c9z
RMSD bond length	0.010
RMSD bond angle	1.506
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.010	50.000	1.790
High resolution limit [Å]	1.760	4.780	1.760
Rmerge	0.101	0.048	0.879
Rmeas	0.106	0.051	0.954
Rpim	0.034	0.017	0.363
Total number of observations	352371
Number of reflections	38381
<I/σ(I)>	7.2
Completeness [%]	100.0	99.8	99.9
Redundancy	9.2	8.8	6.5
CC(1/2)		0.999	0.720

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	298	25% PEG8000, 0.2 M NaCl, 0.1 M Hepes pH7.5