1KLL

Molecular basis of mitomycin C resictance in streptomyces: Crystal structures of the MRD protein with and without a drug derivative

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X9B
Synchrotron site	NSLS
Beamline	X9B
Temperature [K]	100
Detector technology	CCD
Collection date	2000-05-15
Detector	ADSC QUANTUM 4
Wavelength(s)	0.9700
Spacegroup name	C 1 2 1
Unit cell lengths	44.751, 60.458, 44.077
Unit cell angles	90.00, 106.78, 90.00

Refinement procedure

Resolution	10.000 - 1.500
R-factor	0.124
Rwork	0.131
R-free	0.20900 *
Structure solution method	AB INITIO
RMSD bond length	0.018
RMSD bond angle	2.140
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SHELXS
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000	1.550
High resolution limit [Å]	1.500	1.500
Rmerge	0.046	0.301
Total number of observations	66770 *
Number of reflections	18054
<I/σ(I)>	12.7	4
Completeness [%]	99.9	100
Redundancy	3.64	3.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	unknown *	6	298	ammonium sulfate, MES buffer, beta-octylglucoside, pH 6.0, VAPOR DIFFUSION, HANGING DROP at 298K, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	1	protein	3 (mg/ml)
2	1	1	ammonium sulfate	55 (%)
3	1	1	MES	100 (mM)	pH6.0