3MZ2

Crystal structure of a Glycerophosphoryl diester phosphodiesterase (BDI_3922) from Parabacteroides distasonis ATCC 8503 at 1.55 A resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL11-1
Synchrotron site	SSRL
Beamline	BL11-1
Temperature [K]	100
Detector technology	CCD
Collection date	2009-12-03
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91837,0.97925,0.97895
Spacegroup name	P 1 21 1
Unit cell lengths	53.577, 90.481, 60.373
Unit cell angles	90.00, 111.95, 90.00

Refinement procedure

Resolution	47.615 - 1.550
R-factor	0.167
Rwork	0.166
R-free	0.19700
Structure solution method	MAD
RMSD bond length	0.016
RMSD bond angle	1.592
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.15)
Phasing software	PHENIX
Refinement software	REFMAC (5.5.0102)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.615	47.620	1.630
High resolution limit [Å]	1.550	4.900	1.550
Rmerge		0.037	0.610
Total number of observations		9436	41991
Number of reflections	77355
<I/σ(I)>	8.7	20.4	2.3
Completeness [%]	100.0	99.8	100
Redundancy	3.8	3.8	3.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4	293	27.0000% polyethylene glycol 4000, 0.3000M ammonium sulfate, 0.1M sodium acetate pH 4.0, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 293K