2X8P

Crystal Structure of CbpF in Complex with Atropine by Co- Crystallization

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	MARRESEARCH
Temperature [K]	287
Detector technology	IMAGE PLATE
Collection date	2008-11-20
Detector	MARRESEARCH
Spacegroup name	P 21 21 2
Unit cell lengths	52.540, 116.077, 73.165
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.730 - 2.270
R-factor	0.226
Rwork	0.226
R-free	0.28800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2v05
RMSD bond length	0.007
RMSD bond angle	2.100
Data reduction software	MOSFLM
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	CNS (1.2)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	24.730	2.430
High resolution limit [Å]	2.270	2.270
Rmerge	0.090	0.370
Number of reflections	16653
<I/σ(I)>	2.1	2.2
Completeness [%]	79.5	79.5
Redundancy	1.8	1.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		6.5		pH 6.5