5C8D

Crystal structure of full-length Thermus thermophilus CarH bound to adenosylcobalamin (dark state)

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 1
Unit cell lengths	78.740, 79.720, 118.450
Unit cell angles	90.73, 96.61, 117.29

Refinement procedure

Resolution	70.650 - 2.800
R-factor	0.186
Rwork	0.183
R-free	0.23000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	two starting models were used for MR. One model contained residues 80-270 of CarH determined by Co-SAD.
RMSD bond length	0.005
RMSD bond angle	0.921
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	2.870
High resolution limit [Å]	2.800	2.800
Number of reflections	59284
<I/σ(I)>	12	2
Completeness [%]	94.9	95.5
Redundancy	5.6	5.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	298	20% PEG 3350, 0.1 M ammonium citrate tribasic pH 7