6CAU

UDP-N-acetylmuramate--alanine ligase from Acinetobacter baumannii AB5075-UW with AMPPNP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2017-11-08
Detector	RAYONIX MX-300
Wavelength(s)	0.97872
Spacegroup name	P 41 21 2
Unit cell lengths	82.180, 82.180, 154.900
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.482 - 2.500
R-factor	0.1697
Rwork	0.167
R-free	0.19640
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.882
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MoRDa
Refinement software	PHENIX ((1.13_2998: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.560
High resolution limit [Å]	2.500	2.500
Number of reflections	19078
<I/σ(I)>	31.89
Completeness [%]	100.0
Redundancy	11.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	298	0.4 uL 20 mg/mL AcbaC.00137.b.B5 PD00479 + 0.4 uL MCSG1 A10 (200 mM magnesium chloride, 100 mM MES/NaOH, pH 6.5, 10% PEG4000, 3 mM AMPPNP, 3 mM UDP, 3 mM magnesium chloride) in XJR trays, cryoprotectant: 25% ethylene glycol