5DTH

Crystal structure of MUPP1 PDZ8 domain from rattus norvegicus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	CCD
Collection date	2014-07-14
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9792
Spacegroup name	C 1 2 1
Unit cell lengths	84.104, 39.242, 134.449
Unit cell angles	90.00, 92.73, 90.00

Refinement procedure

Resolution	40.640 - 1.950
R-factor	0.2266
Rwork	0.225
R-free	0.26480
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2daz
RMSD bond length	0.019
RMSD bond angle	2.041
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0131)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.980
High resolution limit [Å]	1.950	5.290	1.950
Rmerge	0.107	0.052	0.663
Rmeas	0.130	0.063	0.816
Rpim	0.074	0.035	0.469
Total number of observations	92533
Number of reflections	31967
<I/σ(I)>	8.2
Completeness [%]	98.4	93.8	99.5
Redundancy	2.9	2.9	2.9
CC(1/2)		0.995	0.580

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	289	0.2 M NaI, 25% w/v PEG3350