1H8G

C-terminal domain of the major autolysin (C-LytA) from Streptococcus pneumoniae

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE X11
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	X11
Temperature [K]	100
Detector technology	CCD
Collection date	2000-07-15
Detector	MARRESEARCH
Spacegroup name	P 41 21 2
Unit cell lengths	97.571, 97.571, 68.482
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 * - 2.400
R-factor	0.219
Rwork	0.219
R-free	0.26300
Structure solution method	MAD
RMSD bond length	0.006 *
RMSD bond angle	1.230 *
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	CNS
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.530
High resolution limit [Å]	2.400	2.400
Rmerge	0.048 *	0.368 *
Total number of observations	117161 *
Number of reflections	13018 *
<I/σ(I)>	9.7	1.6
Completeness [%]	97.8	97.9
Redundancy	3	2.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, sitting drop *	6.5 *	295 *	30% MPD, 0.2 M NACL, 0.1 M NA-ACETATE, PH 4.6, 0.2 M GUANIDINE-HCL, 0.15 M CHOLINE-CL.

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	17 (mg/ml)
2	1	drop	Tris-HCl	50 (mM)	pH6.5
3	1	drop		100 (mM)
4	1	drop	choline chloride	150 (mM)
5	1	reservoir	MPD	30 (%(v/v))
6	1	reservoir		0.2 (M)
7	1	reservoir	sodium acetate	0.1 (M)	pH4.6
8	1	reservoir	guanidine-HCl	0.2 (M)