2C6W

PENICILLIN-BINDING PROTEIN 1A (PBP-1A) FROM STREPTOCOCCUS PNEUMONIAE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID13
Synchrotron site	ESRF
Beamline	ID13
Temperature [K]	100
Detector technology	CCD
Collection date	2001-03-24
Detector	MARRESEARCH
Spacegroup name	C 2 2 21
Unit cell lengths	109.782, 187.256, 51.303
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.990 - 2.610
R-factor	0.24
Rwork	0.240
R-free	0.27600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2c5w
RMSD bond length	0.008
RMSD bond angle	1.400
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.770
High resolution limit [Å]	2.610	2.610
Number of reflections	15084
<I/σ(I)>	10.2	3.5
Completeness [%]	91.9	72.4
Redundancy	3.4	3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		7		13% PEG1000, 50MM NACL, 5MM ZNSO4, 50MM TRIS PH 7.0