3OV6

CD1c in complex with MPM (mannosyl-beta1-phosphomycoketide)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2010-02-28
Detector	MAR scanner 300 mm plate
Wavelength(s)	1.033
Spacegroup name	P 21 21 21
Unit cell lengths	53.724, 87.087, 88.808
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.544 - 2.502
R-factor	0.2418
Rwork	0.240
R-free	0.27260
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.490
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.5_2))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.540
High resolution limit [Å]	2.500	6.780	2.500
Number of reflections	14397
Completeness [%]	96.1	94.9	76.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	9.45	291	0.1M CHES pH 9.45, 1.05M sodium citrate, 25 mM triglycine, VAPOR DIFFUSION, HANGING DROP, temperature 291K