2GU9

Crystal structure of XC5357 from Xanthomonas campestris: A putative tetracenomycin polyketide synthesis protein adopting a novel cupin subfamily structure

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL12B2
Synchrotron site	SPring-8
Beamline	BL12B2
Temperature [K]	100
Detector technology	CCD
Collection date	2005-06-01
Detector	ADSC QUANTUM 4
Wavelength(s)	0.97963, 0.96389
Spacegroup name	P 1
Unit cell lengths	43.700, 43.680, 46.500
Unit cell angles	65.00, 64.90, 73.40

Refinement procedure

Resolution	30.000 - 1.400
R-factor	0.231
Rwork	0.220
R-free	0.25300
Structure solution method	MAD
RMSD bond angle	0.020
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.460
High resolution limit [Å]	1.400	1.400
Number of reflections	32312
Completeness [%]	96.3	96.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	293	0.1M NaOAC, 1.6M LiSO4, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 293K
1	VAPOR DIFFUSION, HANGING DROP	5.6	293	0.1M NaOAC, 1.6M LiSO4, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 293K