2Q14

Crystal structure of Phosphohydrolase (BT4208) from Bacteroides thetaiotaomicron VPI-5482 at 2.20 A resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	CCD
Collection date	2006-08-11
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97925, 0.97939, 0.94926
Spacegroup name	P 21 21 21
Unit cell lengths	115.436, 137.504, 279.051
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.029 - 2.200
R-factor	0.21
Rwork	0.207
R-free	0.25200
Structure solution method	MAD
RMSD bond length	0.015
RMSD bond angle	1.416
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELX
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	49.029	49.029	2.430
High resolution limit [Å]	2.200	5.040	2.200
Rmerge	0.164	0.069	0.806
Number of reflections	224828	18859	15606
<I/σ(I)>	5.73	11.9	1.6
Completeness [%]	98.3	96.9	89.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	NANODROP, 15.0% PEG 8000, 8.0% Ethylene glycol, 0.1M Bicine pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K