4WGL

Crystal structure of a GroEL D83A/R197A double mutant

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	2013-11-07
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9792
Spacegroup name	P 21 21 21
Unit cell lengths	135.619, 259.710, 280.848
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	123.524 - 3.130
R-factor	0.1663
Rwork	0.166
R-free	0.23270
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1xck
RMSD bond length	0.009
RMSD bond angle	1.221
Data reduction software	iMOSFLM
Refinement software	PHENIX ((phenix.refine: 1.8.4_1496))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	190.680	3.310
High resolution limit [Å]	3.130	3.130
Rmerge	0.138	0.688
Number of reflections	174190
<I/σ(I)>	10.2	3
Completeness [%]	99.8	99.9
Redundancy	5.3	5.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.5	293	25% PEG 3000, 0.1M acetic acid