1MKV

CARBOXYLIC ESTER HYDROLASE COMPLEX (PLA2 + TRANSITION STATE ANALOG COMPLEX)

Experimental procedure

Source type	ROTATING ANODE
Source details	SIEMENS
Temperature [K]	291
Collection date	1995-11-08
Detector	SIEMENS
Spacegroup name	P 31 2 1
Unit cell lengths	46.580, 46.580, 102.910
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	8.000 - 1.890
R-factor	0.18
Rwork	0.180
Structure solution method	THE HIGH RESOLUTION ATOMIC COORDINATES OF THE WILD TYPE
Starting model (for MR)	WILD TYPE
RMSD bond length	0.014
RMSD bond angle	22.700 *
Data reduction software	XENGEN
Data scaling software	XENGEN
Phasing software	X-PLOR (3.1)
Refinement software	X-PLOR (3.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	15.000	2.010
High resolution limit [Å]	1.890	1.890
Rmerge	0.071 *
Total number of observations	44425 *
Number of reflections	8758
Completeness [%]	72.0 *
Redundancy	5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5		CRYSTALS WERE GROWN BY CO-CRYSTALLIZATION BY THE HANGING DROP VAPOR DIFFUSION METHOD USING THE CONDITIONS 5 (MICRO)L OF THE MUTANT PROTEIN (20MG/ML OF THE PROTEIN), 5MM CACL2, 50MM TRIS BUFFER, PH 7.2 AND 2.5 (MICRO)L OF 75% MPD AND 2.0 (MICRO)L OF (2MM) IN THE DROPLET. THE RESERVOIR CONTAINED (50%) OF MPD., pH 7.5, vapor diffusion - hanging drop

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	20 (mg/ml)
2	1	drop	Tris-HCl	50 (mM)
3	1	drop	MPD	75 (%)
4	1	drop	inhibitor	2 (mM)
5	1	reservoir	MPD	50 (%)