4NZB

NS9283 bound to Ls-AChBP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MAX II BEAMLINE I911-3
Synchrotron site	MAX II
Beamline	I911-3
Temperature [K]	101
Detector technology	CCD
Collection date	2011-04-15
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.0000
Spacegroup name	C 1 2 1
Unit cell lengths	231.726, 140.381, 119.545
Unit cell angles	90.00, 89.98, 90.00

Refinement procedure

Resolution	28.241 - 2.680
R-factor	0.2084
Rwork	0.207
R-free	0.24000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ZDG (chains A-E)
RMSD bond length	0.015
RMSD bond angle	1.588
Data reduction software	XDS
Data scaling software	SCALA (3.3.16)
Phasing software	PHASER
Refinement software	PHENIX (1.8.4_1496)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	28.241	28.241	2.820
High resolution limit [Å]	2.680	8.470	2.680
Rmerge		0.041	0.379
Number of reflections	105283
<I/σ(I)>	11.9	14.6	2
Completeness [%]	98.1	97.3	87.6
Redundancy	3.6	3.7	2.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	293	0.1mM Tris, 0.95M (NH3)2SO4, 4% PEG 400, 0.1M NaCl, 2.5% DMSO, pH 8.0, vapor diffusion, sitting drop, temperature 293K