6XYY

Update of ACHE FROM DROSOPHILA MELANOGASTER COMPLEX WITH TACRINE DERIVATIVE 9-(3-PHENYLMETHYLAMINO)-1,2,3,4-TETRAHYDROACRIDINE

Replaces:  1DX4

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X12C
Synchrotron site	NSLS
Beamline	X12C
Temperature [K]	100
Detector technology	CCD
Collection date	1999-06-01
Detector	Brandeis B4
Wavelength(s)	0.98
Spacegroup name	P 43 21 2
Unit cell lengths	95.810, 95.810, 162.030
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.780 - 2.700
R-factor	0.178
Rwork	0.172
R-free	0.23440
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1qon
RMSD bond length	0.008
RMSD bond angle	0.891
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.780	2.796
High resolution limit [Å]	2.700	2.700
Rmeas	0.038	0.274
Number of reflections	20596	1809
<I/σ(I)>	24.3	3.2
Completeness [%]	96.0
Redundancy	5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.6	292	13% MPEG2000, 0.1 M ammonium sulfate, 0.03 M leucine, 0.1 M acetate, pH 4.6