7VHV

Crystal structure of S. aureus D-alanine alanyl carrier protein ligase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 5C (4A)
Synchrotron site	PAL/PLS
Beamline	5C (4A)
Temperature [K]	100
Detector technology	CCD
Collection date	2012-11-16
Detector	APEX II CCD
Wavelength(s)	1.0
Spacegroup name	P 1 21 1
Unit cell lengths	89.468, 88.510, 130.850
Unit cell angles	90.00, 91.67, 90.00

Refinement procedure

Resolution	39.911 - 2.550
R-factor	0.1909
Rwork	0.189
R-free	0.23980
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3fcc
RMSD bond length	0.012
RMSD bond angle	1.489
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	2.640
High resolution limit [Å]	2.550	2.550
Number of reflections	66485	8768
<I/σ(I)>	10.3
Completeness [%]	99.5
Redundancy	5
CC(1/2)	0.961	0.822

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		277	5% PEG 4K, 0.16 M Magnesium acetate, 0.1 M Na. cacodylate, pH 7.5