1KMZ

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	2000-07-24
Detector	ADSC QUANTUM 4
Spacegroup name	C 1 2 1
Unit cell lengths	44.508, 60.651, 43.776
Unit cell angles	90.00, 105.97, 90.00

Refinement procedure

Resolution	10.000 - 1.500
R-factor	0.163
R-free	0.23400 *
Starting model (for MR)	1kll
RMSD bond length	0.016
RMSD bond angle	1.800
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SHELX
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.580
High resolution limit [Å]	1.500	1.500
Rmerge	0.034	0.335 *
Total number of observations	74125 *
Number of reflections	17820
Completeness [%]	99.9	99.4 *
Redundancy	4.15	4.1

Crystallization Conditions

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