4I81

Crystal Structure of ATPgS bound ClpX Hexamer

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	CCD
Collection date	2010-07-01
Detector	ADSC QUANTUM 315
Wavelength(s)	0.979
Spacegroup name	P 21 21 21
Unit cell lengths	57.935, 199.167, 211.891
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.407 - 3.818
R-factor	0.2719
Rwork	0.271
R-free	0.29470
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3hws
RMSD bond length	0.006
RMSD bond angle	0.783
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (1.5_2)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	3.870
High resolution limit [Å]	3.800	10.290	3.800
Rmerge	0.074	0.032	0.843
Number of reflections	24413
<I/σ(I)>	7.8
Completeness [%]	98.8	97.7	95.5
Redundancy	6.7	6.2	6.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	4.8	298	75 mM sodium acetate, 1.9 M ammonium sulfate, pH 4.8, VAPOR DIFFUSION, temperature 298K