1Q0R

Crystal structure of aclacinomycin methylesterase (RdmC) with bound product analogue, 10-decarboxymethylaclacinomycin T (DcmaT)

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	2002-04-25
Detector	MARRESEARCH
Wavelength(s)	0.8094
Spacegroup name	P 1 21 1
Unit cell lengths	38.200, 84.700, 44.300
Unit cell angles	90.00, 99.99, 90.00

Refinement procedure

Resolution	18.450 - 1.450
R-factor	0.165
Rwork	0.163
R-free	0.18700
Structure solution method	MIR
RMSD bond length	0.008
RMSD bond angle	1.331
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]	20.000 *	1.530
High resolution limit [Å]	1.450	1.450
Rmerge	0.041 *	0.273 *
Total number of observations	234728 *
Number of reflections	34733
<I/σ(I)>	15.1	2
Completeness [%]	84.8	63.5
Redundancy	7.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	294	Ammonium sulphate, PEG400, Hepes, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 294K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	AcmT	1.2 (mM)
2	1	drop	protein	10 (mg/ml)
3	1	drop	Tris-HCl	50 (mM)
4	1	drop	dithiothreitol	1 (mM)
5	1	reservoir	ammonium sulfate		pH7.5