1DLG

CRYSTAL STRUCTURE OF THE C115S ENTEROBACTER CLOACAE MURA IN THE UN-LIGANDED STATE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM1A
Synchrotron site	ESRF
Beamline	BM1A
Temperature [K]	120
Detector technology	IMAGE PLATE
Collection date	1998-11-20
Detector	MARRESEARCH
Spacegroup name	C 1 2 1
Unit cell lengths	86.685, 155.532, 83.820
Unit cell angles	90.00, 91.82, 90.00

Refinement procedure

Resolution	14.970 - 1.900
R-factor	0.173 *
Rwork	0.173
R-free	0.19700
RMSD bond length	0.014
RMSD bond angle	1.800
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	14.970	1.930
High resolution limit [Å]	1.900	1.900
Rmerge	0.033	0.119
Total number of observations	703604 *
Number of reflections	86085
<I/σ(I)>	35.8
Completeness [%]	99.2	91.9
Redundancy	7	2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.9 *	292	0.4-0.8 M sodium/potassium phosphate including 20-40 mM cyclohexylammonium phosphate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 19K, temperature 292K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	sodium potassium phosphate	325 (mM)	pH6.9
2	1	drop	dithiothreitol	1 (mM)
3	1	drop	protein	40 (mg/ml)
4	1	drop	cyclohexylammonium phosphate	20 (mM)
5	1	reservoir	sodium potassium phospahte	1 (M)	pH6.5