2QIW

Crystal structure of a putative phosphoenolpyruvate phosphonomutase (ncgl1015, cgl1060) from corynebacterium glutamicum atcc 13032 at 1.80 A resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL11-1
Synchrotron site	SSRL
Beamline	BL11-1
Temperature [K]	100
Detector technology	CCD
Collection date	2007-06-21
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91837, 0.97901, 0.97935
Spacegroup name	P 21 21 21
Unit cell lengths	82.520, 94.560, 107.970
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.450 - 1.800
R-factor	0.145
Rwork	0.144
R-free	0.16800
Structure solution method	MAD
RMSD bond length	0.017
RMSD bond angle	1.570
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELX
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.450	29.450	1.860
High resolution limit [Å]	1.800	3.870	1.800
Rmerge	0.056	0.021	0.411
Number of reflections	78759	15029	14091
<I/σ(I)>	10.6	30.5	2
Completeness [%]	99.6	98.5	99.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	277	NANODROP, 2.0M (NH4)2SO4, 2.0% PEG 400, 0.1M HEPES pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K