1GO6

Balhimycin in complex with Lys-D-ala-D-ala

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	IMAGE PLATE
Collection date	1998-09-15
Detector	MARRESEARCH
Spacegroup name	P 21 21 2
Unit cell lengths	88.927, 28.025, 50.707
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	89.000 - 0.980
R-factor	0.1254 *
R-free	0.15420 *
Structure solution method	SAD
RMSD bond length	0.022
RMSD bond angle	0.045
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SHELXD
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	90.000	1.100
High resolution limit [Å]	0.980	0.980
Rmerge	0.044	0.177
Number of reflections	72913
<I/σ(I)>	14.81	6.72
Completeness [%]	98.6	95.5
Redundancy	3.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	4	291 *	Loll, P.J., (1999) J.Med.Chem., 42, 4714. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	30 (mg/ml)
2	1	reservoir	Na3Cit/H3Cit	0.3 (M)
3	1	reservoir	MPD	25 (%)