1RP5

PBP2x from Streptococcus pneumoniae strain 5259 with reduced susceptibility to beta-lactam antibiotics

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM30A
Synchrotron site	ESRF
Beamline	BM30A
Temperature [K]	100
Detector technology	CCD
Collection date	2002-11-17
Detector	MARRESEARCH
Wavelength(s)	0.97936
Spacegroup name	P 42 2 2
Unit cell lengths	194.989, 194.989, 154.245
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.000 - 3.000
Rwork	0.231
R-free	0.25600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1qme
RMSD bond length	0.007
RMSD bond angle	23.200 *
Data reduction software	MOSFLM
Data scaling software	CCP4 ((SCALA))
Phasing software	MOLREP
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.000	3.160
High resolution limit [Å]	3.000	3.000
Rmerge	0.092 *	0.426 *
Total number of observations	657234 *
Number of reflections	57788
<I/σ(I)>	29.7	3
Completeness [%]	96.5	77.2
Redundancy	11.4	5.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, sitting drop *	8 *	8 *	PEG 1500, SODIUM ACETATE, AMMONIUM SULFATE, pH 4.3, VAPOR DIFFUSION, HANGING DROP, temperature 281K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PEG1500	14 (%)
2	1	reservoir	sodium acetate	50 (mM)	pH4.3
3	1	reservoir	ammonium sulfate	200 (mM)
4	1	drop	Tris-HCl	50 (mM)	pH8.
5	1	drop		100 (mM)
6	1	drop	EDTA	1 (mM)
7	1	drop	protein	10 (mg/ml)