6LOY

crystal structure of alpha-momorcharin in complex with dAMP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2007-12-06
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.0
Spacegroup name	H 3
Unit cell lengths	130.667, 130.667, 39.230
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	14.951 - 1.350
Rwork	0.300
R-free	0.34950
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1f8q
RMSD bond length	0.012
RMSD bond angle	1.941
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.400
High resolution limit [Å]	1.350	1.350
Rmerge	0.056	0.804
Number of reflections	50527	5422
<I/σ(I)>	14.8	2.1
Completeness [%]	92.4
Redundancy	3.2
CC(1/2)	0.997	0.649

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	298	0.2 M Magnesium Acetate, 20% PEG 8000, 0.1 M Sodium cacodylate, pH 6.5