5OPW

Crystal structure of the GroEL mutant A109C

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-1
Synchrotron site	ESRF
Beamline	MASSIF-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-08-25
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.96600
Spacegroup name	P 1 21 1
Unit cell lengths	135.695, 262.047, 149.213
Unit cell angles	90.00, 100.81, 90.00

Refinement procedure

Resolution	50.000 - 3.190
R-factor	0.2449
Rwork	0.245
R-free	0.25240
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	pdbid 4WSC
RMSD bond length	0.005
RMSD bond angle	0.822
Data reduction software	XDS
Data scaling software	Aimless (0.3.11)
Phasing software	MOLREP (11.2.08)
Refinement software	REFMAC (5.8.0071)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	49.350	3.250
High resolution limit [Å]	3.190	17.490	3.190
Rmerge	0.175	0.039	0.861
Rmeas	0.207	0.048	1.036
Rpim	0.109	0.027	0.570
Number of reflections	168385	1017	7846
<I/σ(I)>	6.3
Completeness [%]	99.5	94.7	93.7
Redundancy	3.5	3.1	3.1
CC(1/2)	0.987	0.999	0.575

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	291	0.1 M sodium citrate, pH 5.5, and 15 % PEG 6000