4PKO

Crystal structure of the Football-shaped GroEL-GroES2-(ADPBeFx)14 complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	CCD
Collection date	2013-11-23
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9792
Spacegroup name	P 21 21 21
Unit cell lengths	169.790, 174.490, 410.160
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	90.898 - 3.840
R-factor	0.1839
Rwork	0.183
R-free	0.24850
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.907
Refinement software	PHENIX ((phenix.refine: 1.8.4_1496))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	90.900	3.910
High resolution limit [Å]	3.840	3.840
Rmerge		0.700
Number of reflections	124259
<I/σ(I)>	9.2	2.8
Completeness [%]	100.0	100
Redundancy	7.2	7.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		293	8.5 % PEG 550 mme (v/v), 0.1 M acetic acid-KCl buffer