3G58

Crystal structure of human phosphodiesterase 4d with d155988/pmnpq

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RUH3R
Temperature [K]	100
Detector technology	IMAGE PLATE
Detector	RIGAKU RAXIS
Spacegroup name	P 21 21 21
Unit cell lengths	98.385, 113.570, 161.129
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.210 - 2.050
R-factor	0.173
Rwork	0.171
R-free	0.21300
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.150
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.5.0070)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.120
High resolution limit [Å]	2.050	2.050
Rmerge	0.058	0.436
Number of reflections	102588
<I/σ(I)>	13.3
Completeness [%]	90.1	53.1
Redundancy	5.8	4.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	100MM HEPES PH 7.5, 35% ETHYLENE GLYCOL, 5% GLYCEROL, 22% PEG 3350, VAPOR DIFFUSION, SITTING DROP, temperature 293K