3M8Y

Phosphopentomutase from Bacillus cereus after glucose-1,6-bisphosphate activation

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
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.979
Spacegroup name	P 1 21 1
Unit cell lengths	91.153, 76.661, 107.758
Unit cell angles	90.00, 108.92, 90.00

Refinement procedure

Resolution	20.000 - 2.100
R-factor	0.1562
Rwork	0.153
R-free	0.19800
RMSD bond length	0.009
RMSD bond angle	1.178
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	REFMAC (5.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.180
High resolution limit [Å]	2.100	2.100
Number of reflections	75463
<I/σ(I)>	14.2	3.6
Completeness [%]	91.8	71.6
Redundancy	3.6	2.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1