4N7T

Crystal structure of phosphorylated phosphopentomutase from streptococcus mutans

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X4A
Synchrotron site	NSLS
Beamline	X4A
Temperature [K]	100
Detector technology	CCD
Collection date	2006-04-06
Detector	ADSC QUANTUM 4
Wavelength(s)	0.97915
Spacegroup name	P 1 21 1
Unit cell lengths	69.788, 63.687, 104.765
Unit cell angles	90.00, 98.85, 90.00

Refinement procedure

Resolution	29.268 - 1.996
R-factor	0.1716
Rwork	0.171
R-free	0.20250
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3m7v
RMSD bond length	0.007
RMSD bond angle	1.040
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	BALBES
Refinement software	PHENIX ((phenix.refine: 1.8_1069))

Data quality characteristics

	Overall
Low resolution limit [Å]	29.268
High resolution limit [Å]	1.996
Number of reflections	61424
Completeness [%]	99.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	293	19% PEG 3350, 0.1M BIS-TRIS, 0.2M LITHIUM SULFATE, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 293.0K