2LIP

PSEUDOMONAS LIPASE OPEN CONFORMATION

Experimental procedure

Source type	ROTATING ANODE
Source details	RIGAKU RUH3R
Temperature [K]	293
Detector technology	IMAGE PLATE
Collection date	1994-03-23
Detector	RIGAKU
Spacegroup name	C 1 2 1
Unit cell lengths	91.500, 47.340, 85.220
Unit cell angles	90.00, 121.25, 90.00

Refinement procedure

Resolution	8.000 - 2.100
R-factor	0.163
Rwork	0.163
R-free	0.22000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1tah
RMSD bond length	0.008
RMSD bond angle	23.040 *
Data reduction software	RAXISII(MSC)
Data scaling software	R-AXIS ((MSC))
Phasing software	X-PLOR
Refinement software	X-PLOR

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.110	2.200
High resolution limit [Å]	2.100	2.100
Rmerge	0.060 *
Total number of observations	24516 *
Number of reflections	14497
<I/σ(I)>	9.12	2.96
Completeness [%]	79.4	60.6
Redundancy	1.69

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	18 *	50% N-PROPANOL, 50 MM TRIS, PH 8.5, 291 K, HANGING DROP VAPOR DIFFUSION, vapor diffusion - hanging drop

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	n-propanol	50 (%)
2	1	reservoir	Tris-HCl	50 (mM)	pH8.5
3	1	drop	protein	16-20 (mg/ml)