3O46

Crystal structure of the PDZ domain of MPP7

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	2010-06-17
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97904
Spacegroup name	P 63
Unit cell lengths	66.616, 66.616, 46.475
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	33.308 - 1.300
R-factor	0.184
Rwork	0.184
R-free	0.19080
Structure solution method	SAD
RMSD bond length	0.018
RMSD bond angle	1.679
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SHELX
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	40.000	40.000	1.320
High resolution limit [Å]	1.300	3.530	1.300
Rmerge	0.041	0.025	0.751
Number of reflections	28982
<I/σ(I)>	14.6
Completeness [%]	99.8	97.7	100
Redundancy	5.6	5.5	5.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	291	30% PEG-1500, 0.2M sodium chloride, 0.1M HEPES, pH 7.5, vapor diffusion, sitting drop, temperature 291K
1	VAPOR DIFFUSION, SITTING DROP	7.5	291	30% PEG-1500, 0.2M sodium chloride, 0.1M HEPES, pH 7.5, vapor diffusion, sitting drop, temperature 291K