5BS5

EPSP synthase from Acinetobacter baumannii

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	100
Detector technology	CCD
Collection date	2013-07-25
Detector	RIGAKU SATURN 944+
Wavelength(s)	1.033
Spacegroup name	P 21 21 21
Unit cell lengths	73.807, 103.896, 113.155
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	31.958 - 2.490
R-factor	0.1749
Rwork	0.172
R-free	0.22490
RMSD bond length	0.004
RMSD bond angle	0.791
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX ((phenix.refine: 1.9_1682))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	31.958	50.000	2.570
High resolution limit [Å]	2.490	6.780	2.490
Rmerge	0.103	0.032	0.471
Total number of observations	134827
Number of reflections	30902
<I/σ(I)>	12.6
Completeness [%]	99.6	97.5	96
Redundancy	4.3	3.9	4.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	298	0.1M Bis-Tris Propane, pH 7.0, 0.1M Potassium Bromide, 40% PEG 8000