3C4J

ABC protein ArtP in complex with ATP-gamma-S

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	CCD
Collection date	2007-11-29
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.95373
Spacegroup name	P 1 21 1
Unit cell lengths	49.155, 83.437, 69.569
Unit cell angles	90.00, 107.50, 90.00

Refinement procedure

Resolution	41.700 - 2.330
R-factor	0.224
Rwork	0.221
R-free	0.27600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2olj
RMSD bond length	0.007
RMSD bond angle	1.161
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.430
High resolution limit [Å]	2.330	5.060	2.350
Rmerge	0.101	0.070	0.349
Number of reflections	20071
<I/σ(I)>	7.4
Completeness [%]	87.7	99.7	61.8
Redundancy	3.7	4.2	2.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7.5	277	1.4M Na-Acetate, 0.1M Hepes, 0.01M MgCl2, pH7.5, VAPOR DIFFUSION, temperature 277K