1QOW

Mersacidin from Bacillus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE BW7B
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	BW7B
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1994-10-15
Detector	MARRESEARCH
Spacegroup name	P 32
Unit cell lengths	46.090, 46.090, 31.020
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	40.000 - 1.060
R-factor	0.134 *
Structure solution method	HALF-BAKED
RMSD bond length	0.013
RMSD bond angle	0.034
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SHELXL-97
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.900	1.080
High resolution limit [Å]	1.060	1.060
Rmerge	0.049	0.364
Total number of observations	164063 *
Number of reflections	33469
<I/σ(I)>	14.9	3
Completeness [%]	100.0	99.6
Redundancy	4.9	2.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	slow evaporation *	7	294	LYOPHILIZED MERSACIDIN WAS DISSOLVED TO SATURATION IN METHANOL. CRYSTALS GREW AT ROOM TEMPERATURE BY SLOW EVAPORATION OF METHANOL FROM A 1:1 MIXTURE OF THE SATURATED SOLUTION WITH BENZENE AND REACHED A MAXIMUM SIZE OF 0.3 X 0.3 X 0.3 MM IN 10 DAYS., pH 7.00

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	1	methanol	50 (%sat)
2	1	1	benzene	50 (%sat)