3I10

Crystal structure of Putative glycerophosphoryl diester phosphodiesterase (NP_812074.1) from BACTEROIDES THETAIOTAOMICRON VPI-5482 at 1.35 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	2009-03-27
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91837,0.97993,0.97920
Spacegroup name	C 2 2 21
Unit cell lengths	54.223, 76.978, 132.800
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.050 - 1.350
R-factor	0.151
Rwork	0.150
R-free	0.17200
Structure solution method	MAD
RMSD bond length	0.017
RMSD bond angle	1.710
Data reduction software	MOSFLM
Data scaling software	SCALA (3.2.5)
Phasing software	SHELX
Refinement software	REFMAC (5.5.0053)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.050	29.050	1.390
High resolution limit [Å]	1.350	6.040	1.350
Rmerge	0.085	0.045	0.590
Total number of observations		2525	14135
Number of reflections	61313
<I/σ(I)>	9.7	23.2	1.9
Completeness [%]	100.0	98.6	100
Redundancy	3.6	3.3	3.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	277	0.2000M NaOAc, 30.0000% PEG-8000, 0.1M Cacodylate pH 6.5, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K