1AMN

TRANSITION STATE ANALOG: ACETYLCHOLINESTERASE COMPLEXED WITH M-(N,N,N-TRIMETHYLAMMONIO)TRIFLUOROACETOPHENONE

Experimental procedure

Detector technology	AREA DETECTOR
Collection date	1993-05-15
Detector	XENTRONICS
Wavelength(s)	1.5418
Spacegroup name	P 31 2 1
Unit cell lengths	113.540, 113.540, 137.530
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	8.000 - 2.800
R-factor	0.188
Rwork	0.188
R-free	0.23500
RMSD bond length	0.011
RMSD bond angle	24.110 *
Data reduction software	XDS
Data scaling software	XDS
Phasing software	X-PLOR
Refinement software	X-PLOR

Data quality characteristics

	Overall
High resolution limit [Å]	2.800 *
Rmerge	0.118
Number of reflections	25272
Completeness [%]	98.0
Redundancy	3.08

Crystallization Conditions

crystal ID	method	pH	temperature	details
1