2J9P

Crystal structure of the Bacillus subtilis PBP4a, and its complex with a peptidoglycan mimetic peptide.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM30A
Synchrotron site	ESRF
Beamline	BM30A
Temperature [K]	100
Spacegroup name	P 21 21 21
Unit cell lengths	73.859, 77.586, 164.739
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.900 - 2.800
R-factor	0.208
Rwork	0.208
R-free	0.29000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1w5d
RMSD bond length	0.007
RMSD bond angle	1.400
Data reduction software	MOSFLM
Data scaling software	CCP4
Phasing software	AMoRE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	24.600	2.950
High resolution limit [Å]	2.800	2.800
Rmerge	0.150	0.580
Number of reflections	21562
<I/σ(I)>	11.2	2.4
Completeness [%]	91.0	93
Redundancy	5.5	5.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		7.5		pH 7.5