2DTM

Thermodynamic and structural analyses of hydrolytic mechanism by catalytic antibodies

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	MACSCIENCE
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2000-12-15
Detector	MAC Science DIP-2030
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	68.263, 80.762, 89.294
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	14.980 - 2.250
R-factor	0.223
Rwork	0.223
R-free	0.27800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2dqt
RMSD bond length	0.007
RMSD bond angle	1.400
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	AMoRE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall
Low resolution limit [Å]	40.000
High resolution limit [Å]	2.250
Rmerge	0.046
Number of reflections	22833
Completeness [%]	95.6
Redundancy	4.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.7	293	50mM Tris-HCl(pH 8.7), 16%(w/v) PEG4000, 0.1mM EDTA, VAPOR DIFFUSION, HANGING DROP, temperature 293K