4QDI

Crystal structure II of MurF from Acinetobacter baumannii

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	2013-07-26
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.00000
Spacegroup name	P 32 2 1
Unit cell lengths	85.783, 85.783, 130.203
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	37.480 - 1.800
R-factor	0.227
Rwork	0.227
R-free	0.25300
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	1.200
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	CCP4
Refinement software	CNS (1.3)

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	1.800
Number of reflections	50545
Completeness [%]	97.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	micro-batch crystallization method		295	0.1M Sodium Citrate : Citric Acid pH 5.5, 20%(w/v) polyethylene glycol (PEG) 3,000, micro-batch crystallization method, temperature 295K