3A2N

Crystal structure of DBJA (Wild Type Type II P21)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE AR-NW12A
Synchrotron site	Photon Factory
Beamline	AR-NW12A
Temperature [K]	100
Detector technology	CCD
Collection date	2006-10-20
Detector	ADSC QUANTUM 210
Wavelength(s)	1.000
Spacegroup name	P 1 21 1
Unit cell lengths	125.534, 47.766, 99.410
Unit cell angles	90.00, 93.61, 90.00

Refinement procedure

Resolution	32.810 - 1.890
R-factor	0.19331
Rwork	0.192
R-free	0.22783
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3a2m
RMSD bond length	0.014
RMSD bond angle	1.333
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.960
High resolution limit [Å]	1.890	1.890
Rmerge	0.063
Number of reflections	94042
Completeness [%]	99.5
Redundancy	4.8	3.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.9	293	PEG 4000, PH 7.9, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 293K