1MVE

Crystal structure of a natural circularly-permutated jellyroll protein: 1,3-1,4-beta-D-glucanase from Fibrobacter succinogenes

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-18B
Synchrotron site	Photon Factory
Beamline	BL-18B
Temperature [K]	100
Detector technology	CCD
Collection date	2001-12-19
Detector	ADSC QUANTUM 4
Wavelength(s)	0.9795, 0.9793, 0.9600
Spacegroup name	P 21 21 21
Unit cell lengths	40.850, 73.350, 73.710
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.000 * - 1.700
R-factor	0.21
Rwork	0.192
R-free	0.23800 *
Structure solution method	MAD
RMSD bond length	0.011 *
RMSD bond angle	1.630 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000 *	1.760
High resolution limit [Å]	1.700	1.700
Rmerge	0.067 *	0.308 *
Total number of observations	108344 *
Number of reflections	24553
<I/σ(I)>	22.8	3
Completeness [%]	98.0 *	92.8
Redundancy	4.4	4.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5 *	293	PEG4000, sodium acetate, Tris-HCL, calcium chloride, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	10 (mg/ml)
2	1	drop	Tris-HCl	10 (mM)	pH7.5
3	1	reservoir		2 (mM)
4	1	reservoir		0.1 (M)
5	1	reservoir	Tris-HCl	0.05 (M)	pH9.0
6	1	reservoir	PEG4000	30 (%(w/v))