1G97

S.PNEUMONIAE GLMU COMPLEXED WITH UDP-N-ACETYLGLUCOSAMINE AND MG2+

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	1998-04-25
Detector	MARRESEARCH
Wavelength(s)	0.873
Spacegroup name	H 3 2
Unit cell lengths	93.660, 93.660, 275.900
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	30.000 - 1.960
R-factor	0.19 *
Rwork	0.188
R-free	0.22100
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	Apo form of GlmU PDB entry code 1G95
RMSD bond length	0.005
RMSD bond angle	1.300
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.030
High resolution limit [Å]	1.960	1.960
Rmerge	0.062 *	0.311 *
Number of reflections	33249
<I/σ(I)>	14.9	3.6
Completeness [%]	98.0	95.4
Redundancy	2.4	2.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	6.5	298	0.1 M BIS/TRIS, 0.2 M Ammonium Sulfate, 25 % PEG 3350, soaked with 10 mM UDP-N-Acetylglucosamine and 10 mM Mg(Cl)2, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	14 (mg/ml)
2	1	reservoir	Bis-Tris	0.1 (M)
3	1	reservoir	ammonium sulfate	0.2 (M)
4	1	reservoir	PEG3350	25 (%(w/v))