6HLU

Crystal structure of the LRR-Roc-COR domain of the Chlorobium tepidum Roco protein

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 2
Synchrotron site	SOLEIL
Beamline	PROXIMA 2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-04-23
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.9801
Spacegroup name	P 21 21 21
Unit cell lengths	95.586, 129.756, 179.465
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.848 - 3.290
R-factor	0.2321
Rwork	0.230
R-free	0.28060
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3dpu and 5il7
RMSD bond length	0.002
RMSD bond angle	0.548
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.12_2829: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.800	3.400
High resolution limit [Å]	3.290	3.290
Rmeas	0.158	1.103
Number of reflections	34302	3210
<I/σ(I)>	9.3	1.5
Completeness [%]	99.0	96
Redundancy	4.5	4.1
CC(1/2)	0.995	0.539

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	293.15	0.8 M Sodium Formate, 0.1 M Sodium Acetate pH 5.5, 10% PEG8000, 10% PEG 1000