1A0T

SUCROSE-SPECIFIC PORIN, WITH BOUND SUCROSE MOLECULES

Experimental procedure

Source details	OTHER
Temperature [K]	287
Detector technology	DIFFRACTOMETER
Collection date	1995-04
Detector	STOE
Spacegroup name	P 32
Unit cell lengths	111.800, 111.800, 147.800
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	100.000 - 2.400
R-factor	0.207
Rwork	0.207
R-free	0.24600
Structure solution method	DIFFERENCE FOURIER
Starting model (for MR)	SUCROSE PORIN (PDB ENTRY 1AOS)
RMSD bond length	0.011
RMSD bond angle	28.400 *
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	X-PLOR (3.851)
Refinement software	X-PLOR (3.851)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	17.000	3.000
High resolution limit [Å]	2.400	2.400
Rmerge	0.161 *
Number of reflections	65815
<I/σ(I)>	5	2
Completeness [%]	80.7	84
Redundancy	2.74	2.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.7	17 *	PROTEIN WAS CRYSTALLIZED BY VAPOR DIFFUSION USING THE SITTING-DROP METHOD. THE DROP CONTAINED 5-7 MG/ML PROTEIN, 20 MM TRIS/CL AT PH 7.7, 100MM LICL, 20MM MGSO4, 1.2% BETA-D-OCTYLGLUCOPYRANOSIDE AND 6-9% PEG-2000. THE CONCENTRATION OF PEG IN THE RESERVOIR WAS 12-15%. 2M SUCROSE WAS ADDED TO THE DROP FOR COCRYSTALLIZATION., vapor diffusion - sitting drop

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	5-7 (mg/ml)
10	1	reservoir	PEG2000	12-15 (%)
2	1	drop	Tris-Cl	20 (mM)
3	1	drop		100 (mM)
4	1	drop		20 (mM)
5	1	drop	beta-D-octylglucopyranoside	1.2 (%)
6	1	drop	C6DAO	1 (%)
7	1	drop	beta-D-heptylglucopyranoside	1 (%)
8	1	drop	PEG2000	6-9 (%)
9	1	drop	sucrose	100 (mM)