4O90

Crystal structure of chorismate synthase from Acinetobacter baumannii at 2.6A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM14
Synchrotron site	ESRF
Beamline	BM14
Temperature [K]	77
Detector technology	CCD
Collection date	2013-10-10
Detector	MARRESEARCH
Wavelength(s)	0.97
Spacegroup name	P 21 21 2
Unit cell lengths	108.739, 73.192, 90.118
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.370 - 2.610
R-factor	0.243
Rwork	0.243
R-free	0.27900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4lj2
RMSD bond length	0.020
RMSD bond angle	2.900
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	AMoRE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	32.370	2.700
High resolution limit [Å]	2.600	2.600
Number of reflections	21001
Completeness [%]	94.0	99.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	298	50mM Tris-HCl, 0.2M MgCl2, 20% PEG3350, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K