1R00

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MAX II BEAMLINE I711
Synchrotron site	MAX II
Beamline	I711
Temperature [K]	100
Detector technology	CCD
Collection date	2002-02-09
Detector	MARRESEARCH
Wavelength(s)	1.076
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 - 2.500
R-factor	0.218
Rwork	0.213
R-free	0.28000
Structure solution method	fft
Starting model (for MR)	1qzz SAM-complex
RMSD bond length	0.011
RMSD bond angle	1.395
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	REFMAC (5.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.590
High resolution limit [Å]	2.500	2.500
Rmerge	0.108 *	0.252 *
Total number of observations	96318 *
Number of reflections	12651
<I/σ(I)>	10.4	5.6
Completeness [%]	99.8	99.8
Redundancy	7.6

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

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)