1FH7

CRYSTAL STRUCTURE OF THE XYLANASE CEX WITH XYLOBIOSE-DERIVED INHIBITOR DEOXYNOJIRIMYCIN

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	OTHER
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1999-04-01
Detector	MARRESEARCH
Spacegroup name	P 41 21 2
Unit cell lengths	87.040, 87.040, 80.270
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 1.820
R-factor	0.21
Rwork	0.210
R-free	0.23400
RMSD bond length	0.006
RMSD bond angle	22.300 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.900
High resolution limit [Å]	1.820	1.820
Rmerge	0.043	0.246
Number of reflections	27874
<I/σ(I)>	14.7
Completeness [%]	98.6	97.4
Redundancy	15	7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.6	298	Bedarkar, S., (1992) J.Mol. Biol, 228, 693. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	Cex	65 (mg/ml)
2	1	drop	PEG4000	7.5-10 (%)
3	1	drop	sodium acetate	0.1 (M)
4	1	reservoir	PEG4000	7.5-10 (%)
5	1	reservoir	sodium acetate	0.1 (M)