4AFG

Capitella teleta AChBP in complex with varenicline

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 1
Synchrotron site	SOLEIL
Beamline	PROXIMA 1
Temperature [K]	100
Spacegroup name	P 21 21 21
Unit cell lengths	79.236, 112.549, 134.654
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.429 - 2.001
R-factor	0.1746
Rwork	0.172
R-free	0.22270
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2uz6
RMSD bond length	0.012
RMSD bond angle	1.299
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	PHENIX ((PHENIX.REFINE: 1.7.3_928))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.430	2.110
High resolution limit [Å]	2.000	2.000
Rmerge	0.010	0.060
Number of reflections	81577
<I/σ(I)>	9.1	1.2
Completeness [%]	99.7	98.3
Redundancy	4.4	4.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1