4RR5

The crystal structure of Synechocystis sp. PCC 6803 Malonyl-CoA: ACP Transacylase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	CCD
Collection date	2014-06-06
Detector	MAR CCD 165 mm
Wavelength(s)	1.0000
Spacegroup name	P 21 21 2
Unit cell lengths	43.043, 148.646, 40.393
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.345 - 2.427
R-factor	0.1864
Rwork	0.183
R-free	0.25630
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1mla
RMSD bond length	0.008
RMSD bond angle	1.114
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Refinement software	PHENIX ((phenix.refine: 1.9_1692))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.660
High resolution limit [Å]	2.420	5.540	2.420
Number of reflections	15645
Completeness [%]	90.7	99.3	89.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.6	277	0.2M ammonium acetate, 0.1M sodium acetate trihydrate pH 4.6, 30% PEG 4000, VAPOR DIFFUSION, HANGING DROP, temperature 277K