4QWW

Crystal structure of the Fab410-BfAChE complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	CCD
Collection date	2004-10-04
Detector	ADSC QUANTUM 210
Wavelength(s)	0.979
Spacegroup name	P 21 21 2
Unit cell lengths	156.592, 251.336, 73.978
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.530 - 2.700
R-factor	0.2009
Rwork	0.199
R-free	0.23880
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB ENTRIES 1J06 & 1IQW
RMSD bond length	0.010
RMSD bond angle	1.200
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	AMoRE
Refinement software	BUSTER (2.11.5)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	78.000	2.850
High resolution limit [Å]	2.700	2.700
Rmerge		0.594
Number of reflections	81126
<I/σ(I)>	10.2	2
Completeness [%]	99.9	99.4
Redundancy	4.4	4.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5	293	7.0-12.5% PEG8000, 0.2 M sodium citrate, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K