4QF5

Crystal structure I 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	2013-07-09
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.00000
Spacegroup name	P 1 21 1
Unit cell lengths	44.559, 89.716, 126.896
Unit cell angles	90.00, 93.45, 90.00

Refinement procedure

Resolution	37.439 - 2.800
R-factor	0.1949
Rwork	0.192
R-free	0.24900
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.246
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	CCP4
Refinement software	PHENIX ((phenix.refine: 1.8.4_1496))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.850
High resolution limit [Å]	2.800	2.800
Number of reflections	24942
Completeness [%]	99.7	92.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	micro-batch crystallization method	8.5	295	0.16M Magnesium Chloride, 0.08M Tris-HCl pH 8.5, 24%(w/v) polyethylene glycol(PEG) 4,000, 20%(w/v) glycerol, micro-batch crystallization method, temperature 295K