6CRT

Arg65Gln Mutagenic E.coli PCK

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08ID-1
Synchrotron site	CLSI
Beamline	08ID-1
Temperature [K]	105
Detector technology	CCD
Collection date	2013-10-14
Detector	RAYONIX MX300HE
Wavelength(s)	0.98
Spacegroup name	C 1 2 1
Unit cell lengths	124.993, 95.301, 46.340
Unit cell angles	90.00, 96.40, 90.00

Refinement procedure

Resolution	46.051 - 1.995
R-factor	0.16
Rwork	0.157
R-free	0.21050
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ayl
RMSD bond length	0.007
RMSD bond angle	0.933
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX ((dev_2398: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.646	1.920
High resolution limit [Å]	1.990	1.850
Rmerge	0.350	0.810
Number of reflections	39657
<I/σ(I)>	3.07
Completeness [%]	91.5
Redundancy	2.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH		293	2 ul drop containing 8 mg/ml Arg65Gln E.coli PCK, 5 mM MnCl2, 5 mM MgCl2, 2mM ATP, 2mM pyruvate, 1mM EDTA, 200 mM ammonium acetate, 100 mM sodium acetate pH 4.4 and 12% PEG 4000, was added to 2 ul drop containing 0.2 M magnesium acetate and 20% PEG 3350. Rod like crystals formed after 7 days, and where soaked in cryoprotectant solution containing 30% glycerol, 1mM EDTA, 100 mM sodium acetae, 200 mM ammonium acetate and 12% PEG 4000 for 10 seconds and flashed cooled in liquid nitrogen