1MKU

CARBOXYLIC ESTER HYDROLASE, ORTHORHOMBIC FORM OF THE TRIPLE MUTANT

Experimental procedure

Temperature [K]	291
Detector technology	IMAGE PLATE
Collection date	1995-11-09
Detector	RIGAKU RAXIS IIC
Spacegroup name	P 21 21 21
Unit cell lengths	46.710, 65.450, 38.030
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	8.000 - 1.800
R-factor	0.196
Rwork	0.196
Structure solution method	THE ATOMIC COORDINATES OF THE NEW HIGH RESOLUTION REFINEMENT OF THE TRIGONAL FORM OF THE NATIVE ENZYME WERE USED AS THE STARTING MODEL (PDB CODE: 1MKT).
Starting model (for MR)	WILD TYPE
RMSD bond length	0.011
RMSD bond angle	22.500 *
Data reduction software	R-AXIS (IIC)
Data scaling software	R-AXIS (II)
Phasing software	X-PLOR
Refinement software	X-PLOR

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	15.000	1.900
High resolution limit [Å]	1.800	1.800
Rmerge	0.070	0.207
Total number of observations	22721 *
Number of reflections	9538
<I/σ(I)>		2.6
Completeness [%]	8.0	49
Redundancy	2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.2		CRYSTALS WERE GROWN BY THE HANGING DROP VAPOR DIFFUSION METHOD, pH 7.2, vapor diffusion - hanging drop

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	10.7 (mg/ml)
2	1	drop		3.6 (mM)
3	1	drop	Tris-HCl	35.7 (mM)
4	1	drop	MPD	14.3 (%)
5	1	reservoir	MPD	50 (%)