1QZZ

Crystal structure of aclacinomycin-10-hydroxylase (RdmB) in complex with S-adenosyl-L-methionine (SAM)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE X11
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	X11
Temperature [K]	100
Detector technology	CCD
Collection date	2001-06-23
Detector	MARRESEARCH
Wavelength(s)	0.8439
Spacegroup name	C 2 2 21
Unit cell lengths	63.120, 92.130, 115.330
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 2.100
R-factor	0.21
Rwork	0.204
R-free	0.27500
Structure solution method	MAD
RMSD bond length	0.009
RMSD bond angle	1.372
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	REFMAC (5)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.140
High resolution limit [Å]	2.100	2.100
Rmerge	0.095 *	0.355 *
Total number of observations	67648 *
Number of reflections	19452
<I/σ(I)>	11.3	2.4
Completeness [%]	97.1	92.5
Redundancy	3.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5	294	PEG4000, Ammonium acetate, Sodium acetate, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 294K
1	VAPOR DIFFUSION, HANGING DROP	5	294	PEG4000, Ammonium acetate, Sodium acetate, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 294K
1	VAPOR DIFFUSION, HANGING DROP	5	294	PEG4000, Ammonium acetate, Sodium acetate, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 294K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PEG4000	30 (%(w/v))
2	1	reservoir	ammonium acetate	0.1 (M)
3	1	reservoir	sodium acetate	0.2 (M)	pH5.0
4	1	drop	protein	2.2 (mg/ml)