4I4Z

Synechocystis sp. PCC 6803 1,4-dihydroxy-2-naphthoyl-coenzyme A synthase (MenB) in complex with salicylyl-CoA

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	2011-09-15
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97
Spacegroup name	P 32 2 1
Unit cell lengths	139.210, 139.210, 220.981
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	44.670 - 2.000
R-factor	0.19959
Rwork	0.198
R-free	0.22087
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4eml
RMSD bond length	0.009
RMSD bond angle	1.423
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.7.0032)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.670	2.050
High resolution limit [Å]	2.000	2.000
Number of reflections	158586
Completeness [%]	99.7	99.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	294	0.15M ammonium acetate, 4% Tasmate, 0.1M Bis-tris, 15% PEG3350, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 294K