1HM0

CRYSTAL STRUCTURE OF S.PNEUMONIAE N-ACETYLGLUCOSAMINE 1-PHOSPHATE URIDYLTRANSFERASE, GLMU

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-2
Synchrotron site	ESRF
Beamline	ID14-2
Temperature [K]	100
Detector technology	CCD
Collection date	1999-09-18
Detector	ADSC QUANTUM 4
Wavelength(s)	0.9324
Spacegroup name	H 3
Unit cell lengths	92.715, 92.715, 280.387
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	40.000 - 2.300
R-factor	0.207 *
Rwork	0.207
R-free	0.24500 *
Structure solution method	MAD
RMSD bond length	0.012
RMSD bond angle	1.654
Data reduction software	DENZO
Data scaling software	CCP4 ((SCALA))
Phasing software	SOLVE
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	2.370
High resolution limit [Å]	2.300	2.300
Rmerge	0.080	0.274
Total number of observations	79968 *
Number of reflections	37758
<I/σ(I)>	5.2	2.8
Completeness [%]	95.1	97.6
Redundancy	2.1	1.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	20 *	26 % PEG 400 (w/w), 300 mM CaCl2, 50 mM NaCl, pH 8.0, VAPOR DIFFUSION, HANGING DROP at 293K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	13 (mg/ml)
2	1	reservoir	PEG400	26 (%(v/v))
3	1	reservoir		50 (mM)
4	1	reservoir		300 (mM)	pH8.0