1Q2B

CELLOBIOHYDROLASE CEL7A WITH DISULPHIDE BRIDGE ADDED ACROSS EXO-LOOP BY MUTATIONS D241C AND D249C

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MAX II BEAMLINE I711
Synchrotron site	MAX II
Beamline	I711
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1998-10-23
Detector	MARRESEARCH
Wavelength(s)	0.986
Spacegroup name	I 2 2 2
Unit cell lengths	83.170, 83.140, 110.040
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.000 - 1.600
Rwork	0.207
R-free	0.22300
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	25.200
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	1.660
High resolution limit [Å]	1.600	1.600
Rmerge	0.053	0.147
Number of reflections	46521
<I/σ(I)>	19.2
Completeness [%]	92.0	95.8
Redundancy	4.0 *	3.8 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5 *	298	PEG 5000 monomethyl ether, sodium morpholine-ethane-sulphonic acid, glycerol, cobalt chloride, sodium acetate, pH 6.00, VAPOR DIFFUSION, HANGING DROP, temperature 298K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	1-5 (mg/ml)
2	1	drop	sodium acetate	10 (mM)	pH5.0
3	1	reservoir	mPEG5000	18-22 (%(w/v))
4	1	reservoir	sodium morpholine ethane sulphonic acid	0.1 (M)	pH6.0
5	1	reservoir		10 (mM)
6	1	reservoir	glycerol	12.5 (%(v/v))