5C8E

Crystal structure of Thermus thermophilus CarH bound to adenosylcobalamin and a 26-bp DNA segment

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	PIXEL
Collection date	2013-11-23
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9795
Spacegroup name	P 21 21 2
Unit cell lengths	177.940, 141.820, 162.690
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	91.638 - 3.890
R-factor	0.2505
Rwork	0.250
R-free	0.25730
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3 different models were used for MR: residues 83-270 of PDB ID 5C8A; residues 6-75 of PDB ID 5C8F and a model of a 26-bp DNA segment with ideal geometry generated using 3D-DART
RMSD bond length	0.005
RMSD bond angle	0.789
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	100.000	3.990
High resolution limit [Å]	3.890	3.890
Number of reflections	38480
<I/σ(I)>	15.7	2
Completeness [%]	99.9	100
Redundancy	12.2	12.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	298	16% PEG 3350, 0.2 M L-Proline, 0.1 M HEPES pH 7.5