1UNE

CARBOXYLIC ESTER HYDROLASE, 1.5 ANGSTROM ORTHORHOMBIC FORM OF THE BOVINE RECOMBINANT PLA2

Experimental procedure

Source type	ROTATING ANODE
Source details	RIGAKU R-AXIS II
Temperature [K]	291
Detector technology	IMAGE PLATE
Collection date	1996-01-26
Detector	RIGAKU RAXIS IIC
Spacegroup name	P 21 21 21
Unit cell lengths	47.120, 64.590, 38.140
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	10.000 - 1.500
R-factor	0.184
Rwork	0.184
R-free	0.22800
Structure solution method	THE HIGH RESOLUTION ATOMIC COORDINATES OF THE WILD TYPE (PDB ENTRY 1BP2) WERE USED AS THE STARTING MODEL FOR REFINEMENT.
Starting model (for MR)	WILD TYPE (PDB ENTRY 1BP2)
RMSD bond length	0.009
RMSD bond angle	21.600 *
Data reduction software	R-AXIS (IIC)
Data scaling software	R-AXIS (II)
Phasing software	X-PLOR (3.1)
Refinement software	X-PLOR (3.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	10.000	1.550
High resolution limit [Å]	1.500	1.500
Rmerge	0.046	0.172
Total number of observations	68591 *
Number of reflections	17572	1176 *
Completeness [%]	92.0	63
Redundancy	3	3.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.2		CRYSTALS WERE GROWN BY CO-CRYSTALLIZATION BY THE HANGING DROP VAPOR DIFFUSION METHOD USING THE CONDITIONS 5 (MICRO)L OF THE PROTEIN (15 MG/ML OF THE PROTEIN), 5MM CACL2, 50MM TRIS BUFFER, PH 7.2 AND 3.0 (MICRO)L OF 50% MPD IN THE DROPLET. THE RESERVOIR CONTAINED (50%) OF MPD., vapor diffusion - hanging drop

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	9.3 (mg/ml)
2	1	drop		3 (mM)
3	1	drop	Tris-HCl	31 (mM)
4	1	drop	MPD	19 (%)
5	1	reservoir	MPD	50 (%)