4Q36

The crystal structure of acyltransferase in complex with octanoyl-CoA and teicoplanin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE BL15A
Synchrotron site	NSRRC
Beamline	BL15A
Temperature [K]	100
Detector technology	CCD
Collection date	2014-03-21
Detector	RAYONIX MX300HE
Wavelength(s)	1.0000
Spacegroup name	P 65
Unit cell lengths	133.298, 133.298, 49.112
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	25.190 - 2.350
R-factor	0.18688
Rwork	0.184
R-free	0.23330
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4mfj
RMSD bond length	0.010
RMSD bond angle	1.398
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASES
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.430
High resolution limit [Å]	2.350	2.350
Number of reflections	19955
Completeness [%]	100.0	100

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	0.1mM MES, 0.2M ammonium sulphate, 28%(V/V) PEG 5000 MME, 4mM octanoyl-CoA, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K