4Z5V

Crystal Structure of MHV ns2 PDE Domain

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	2014-12-14
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97907
Spacegroup name	P 41 2 2
Unit cell lengths	101.042, 101.042, 165.806
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.489 - 3.049
R-factor	0.2301
Rwork	0.226
R-free	0.26600
Structure solution method	SAD
RMSD bond length	0.010
RMSD bond angle	1.252
Phasing software	PHENIX (1.8.2-1309)
Refinement software	PHENIX (1.8.2_1309)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	3.160
High resolution limit [Å]	3.050	3.050
Rmerge		0.761
Rmeas	0.089	0.903
Rpim	0.023	0.223
Total number of observations	274550
Number of reflections	31292
<I/σ(I)>	20.6	3.8
Completeness [%]	99.9	96.3
Redundancy	8.6	8.5
CC(1/2)		0.899

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	277	16% PEG3350, 0.1M succinic acid