1QBB

BACTERIAL CHITOBIASE COMPLEXED WITH CHITOBIOSE (DINAG)

Experimental procedure

Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE X31
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	X31
Temperature [K]	277
Detector technology	IMAGE PLATE
Collection date	1994-09-09
Detector	MARRESEARCH
Spacegroup name	P 21 21 2
Unit cell lengths	110.700, 99.900, 87.700
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	15.000 - 2.000
R-factor	0.148
Rwork	0.151
R-free	0.21200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1qba
RMSD bond length	0.022
RMSD bond angle	0.028
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	PROLSQ

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	15.000	2.060
High resolution limit [Å]	1.990	2.020
Rmerge	0.084	0.237
Number of reflections	66148
<I/σ(I)>	14.8	3.4
Completeness [%]	99.7	99.9
Redundancy	4.1	2.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	unknown *	5.6		CRYSTAL WERE GROWN AT ROOM TEMPERATURE FROM HANGING DROPS CONTAINING 62% SATURATED AMMONIUM SULFATE, 1.5% ISOPROPANOL AND 100 MM CACODYLATE, PH 5.6. DERIVATIZATION CONDITIONS: SOLID CHITOBIOSE WAS ADDED TO THE MOTHER LIQUOR TO MAKE UP HIGH CONCENTRATED STOCK SOLUTION, 0.5 TO 1.0 MICRO LITERS OF THE STOCK SOLUTION WERE ADDED TO THE CRYSTALLISATION DROP CONTAINING CRYSTALS. THE CRYSTALS WERE MOUNTED IMMEDIATELY IN GLASS CAPILLARY. EXPOSURE TIME WAS LIMITED TO 10 MINUTES OR LESS. THESE CRYSTALS: 4 MINS 50 SECS. THE CHITOBIOSE WAS SUPPLIED BY SIGMA., vapor diffusion - hanging drop

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	1	ammonium salfate	61.5 (%)
2	1	1	isopropanol	1.5 (%)
3	1	1	cacodylate	100 (mM)