3TX0

Unphosphorylated Bacillus cereus phosphopentomutase in a P212121 crystal form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	100
Detector technology	CCD
Collection date	2010-04-02
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.979
Spacegroup name	P 21 21 21
Unit cell lengths	60.975, 75.706, 95.562
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.260
R-factor	0.19212
Rwork	0.189
R-free	0.24617
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.013
RMSD bond angle	1.461
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.330
High resolution limit [Å]	2.250	2.250
Number of reflections	19421
Completeness [%]	92.1	64.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.2	298	125 mM manganese chloride, 1.8 M ammonium citrate, pH 7.2, VAPOR DIFFUSION, HANGING DROP, temperature 298K