3LIP

OPEN CONFORMATION OF PSEUDOMONAS CEPACIA LIPASE

Experimental procedure

Source type	SYNCHROTRON
Source details	MPG/DESY, HAMBURG BEAMLINE BW6
Synchrotron site	MPG/DESY, HAMBURG
Beamline	BW6
Temperature [K]	283
Detector technology	IMAGE PLATE
Collection date	1994-05
Detector	MARRESEARCH
Spacegroup name	C 1 2 1
Unit cell lengths	91.300, 47.300, 85.400
Unit cell angles	90.00, 121.40, 90.00

Refinement procedure

Resolution	8.000 - 2.000
Rwork	0.188
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1cvl
RMSD bond length	0.020
RMSD bond angle	0.039
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	PROLSQ

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	18.700	2.050
High resolution limit [Å]	2.000	2.000
Rmerge	0.095 *
Total number of observations	33550 *
Number of reflections	17688
Completeness [%]	83.3	83.1
Redundancy	2	1.63

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, sitting drop *	7.5 *	12 *	29-30 % N-PROPANOL, 0.1 M TRIS HCL BUFFER, PH 8.4-8.7, AT 12 DEGREES IN FOUR WEEKS, PROTEIN CONCENTRATION 22 MG/ML, temperature 285K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	1-propanol	29-30 (%(v/v))
2	1	reservoir	Tris-HCl	100 (mM)	pH8.5-8.7
3	1	drop	protein	22 (mg/ml)
4	1	drop	Tris-HCl	10 (mM)	pH7.5