1I78

CRYSTAL STRUCTURE OF OUTER MEMBRANE PROTEASE OMPT FROM ESCHERICHIA COLI

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-4
Synchrotron site	ESRF
Beamline	ID14-4
Temperature [K]	100
Detector technology	CCD
Collection date	1999-12-09
Detector	ADSC QUANTUM 4
Wavelength(s)	0.9322
Spacegroup name	P 32 2 1
Unit cell lengths	98.389, 98.389, 165.695
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.000 - 2.600
R-factor	0.238 *
Rwork	0.238
R-free	0.28000
Structure solution method	SAD
RMSD bond length	0.007
RMSD bond angle	1.400
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MLPHARE
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.760
High resolution limit [Å]	2.600	2.600
Rmerge	0.074	0.263
Total number of observations	43471 *
Number of reflections	27400	2766 *
<I/σ(I)>	8.82	2.54
Completeness [%]	94.3	97.7 *
Redundancy	1.59	1.57

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	unknown *	5.5	277	30% (v/v) 2-methyl-2,4-pentanediol, 0.3 M sodium citrate PH 5.5, 1% (w/v) octyl-beta-D-glucopyranoside, VAPOR DIFFUSION, HANGING DROP, temperature 277K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	1	octyl-beta-D-glucopyranoside	1 (%(w/v))
2	1	1	MPD	30 (%(v/v))
3	1	1	sodium citrate	0.3 (M)