1S2V

Crystal structure of phosphoenolpyruvate mutase complexed with Mg(II)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 17-BM
Synchrotron site	APS
Beamline	17-BM
Temperature [K]	100
Detector technology	CCD
Detector	MARRESEARCH
Spacegroup name	P 21 21 2
Unit cell lengths	122.517, 86.469, 104.011
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.000 - 2.100
R-factor	0.185
Rwork	0.185
R-free	0.25700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1pym
RMSD bond length	0.010
RMSD bond angle	1.460
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.180
High resolution limit [Å]	2.100	2.100
Rmerge	0.069	0.238
Number of reflections	62612
<I/σ(I)>	9.1
Completeness [%]	96.2	91.1
Redundancy	5.99

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		7.5	298	PEG 4000, glycerol, HEPES, MgCl2, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K, pH 7.50