1G95

CRYSTAL STRUCTURE OF S.PNEUMONIAE GLMU, APO FORM

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	1998-04-26
Detector	MARRESEARCH
Wavelength(s)	0.873
Spacegroup name	H 3 2
Unit cell lengths	94.910, 94.910, 279.940
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	30.000 - 2.330
R-factor	0.23 *
Rwork	0.228
R-free	0.30300
Structure solution method	SIRAS
RMSD bond length	0.006
RMSD bond angle	1.200
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SHARP
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.410
High resolution limit [Å]	2.330	2.330
Rmerge	0.061 *	0.188 *
Number of reflections	20586
<I/σ(I)>	10.5	3.1
Completeness [%]	97.0	95.7
Redundancy	1.8	1.7

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, 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))