1XP4

Crystal structure of a peptidoglycan synthesis regulatory factor (PBP3) from Streptococcus pneumoniae

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-4
Synchrotron site	ESRF
Beamline	ID14-4
Temperature [K]	100
Detector technology	CCD
Collection date	2002-05-16
Detector	ADSC QUANTUM 4
Wavelength(s)	0.9792, 0.9794, 0.9393
Spacegroup name	P 21 21 21
Unit cell lengths	87.608, 120.839, 177.076
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	65.840 - 2.800
R-factor	0.237
Rwork	0.237
R-free	0.27800
Structure solution method	MAD
Starting model (for MR)	1nz0
RMSD bond length	0.010
RMSD bond angle	1.900
Data reduction software	MOSFLM
Data scaling software	CCP4 ((SCALA))
Phasing software	SHARP
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	65.840	2.980
High resolution limit [Å]	2.800	2.800
Rmerge	0.102	0.279
Number of reflections	46098
<I/σ(I)>	12.7	4.7
Completeness [%]	99.9	100
Redundancy	5.4	5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	293.15	potassium sodium tartrate, Tri-sodium citrate, sodium iodide, PEG 400, Ammonium sulfate, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 293.15K