1S2U

Crystal structure of the D58A phosphoenolpyruvate mutase mutant protein

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
Wavelength(s)	1.0
Spacegroup name	C 2 2 21
Unit cell lengths	108.537, 119.746, 88.380
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.700 - 2.000
R-factor	0.171
Rwork	0.165
R-free	0.21900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1pym
RMSD bond length	0.008
RMSD bond angle	1.400
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	2.050
High resolution limit [Å]	2.000	2.000
Rmerge	0.061	0.299
Number of reflections	36902
<I/σ(I)>	10.4
Completeness [%]	94.1	84.5
Redundancy	5.48

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	PEG 4000, Glycerol, HEPES, MgCl2, pH 7.0-8.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K