6IOH

Crystal structure of Homoserine O-acetyltransferase in complex with Homoserine from Mycobacterium smegmatis ATCC 19420

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 7A (6B, 6C1)
Synchrotron site	PAL/PLS
Beamline	7A (6B, 6C1)
Temperature [K]	100
Detector technology	CCD
Collection date	2017-05-10
Detector	ADSC QUANTUM 270
Wavelength(s)	0.97934
Spacegroup name	P 21 21 21
Unit cell lengths	53.940, 95.033, 141.864
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.490 - 2.000
R-factor	0.1893
Rwork	0.188
R-free	0.22110
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6iog
RMSD bond length	0.009
RMSD bond angle	1.559
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.030
High resolution limit [Å]	2.000	2.000
Rpim	0.051	0.149
Number of reflections	49446	2374
<I/σ(I)>	39.79	9.01
Completeness [%]	98.6	97.3
Redundancy	5.5	4.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	293	34 % (v/v) polyethylene glycol (PEG) 400, 0.1 M Sodium acetate/acetic acid pH 5.5, 0.2 M calcium acetate