1AL3

COFACTOR BINDING FRAGMENT OF CYSB FROM KLEBSIELLA AEROGENES

Experimental procedure

Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE X11
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	X11
Temperature [K]	293
Detector technology	IMAGE PLATE
Collection date	1994-12
Detector	MAR scanner 300 mm plate
Spacegroup name	P 21 21 2
Unit cell lengths	66.380, 107.530, 32.740
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 1.800
R-factor	0.179 *
Rwork	0.179
R-free	0.24600
Structure solution method	MIR
RMSD bond length	0.014 *
RMSD bond angle	0.033
Data reduction software	DENZO
Data scaling software	CCP4
Phasing software	MLPHARE
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.900
High resolution limit [Å]	1.800	1.800
Rmerge	0.044	0.319
Number of reflections	20911 *
<I/σ(I)>	7.7	1.6
Completeness [%]	93.0 *	84.9
Redundancy	2.5	2.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	291	COFACTOR BINDING DOMAIN WAS CRYSTALLISED IN HANGING DROPS AT 18 DEGREES CELSIUS FROM 14% MONO-METHYLETHER PEG750, 100MM MES PH 6.5, vapor diffusion - hanging drop, temperature 291K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	mono-methylether PEG750	14 (%)
2	1	reservoir	MES	0.1 (M)