7MCO

Crystal Structure of Tetur04g02350

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-05-29
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0000
Spacegroup name	P 1
Unit cell lengths	48.189, 66.085, 75.971
Unit cell angles	88.54, 72.78, 87.40

Refinement procedure

Resolution	29.920 - 2.000
Rwork	0.158
R-free	0.20330
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6pnt
RMSD bond length	0.010
RMSD bond angle	1.533
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.030
High resolution limit [Å]	2.000	2.000
Rmerge	0.049	0.232
Rmeas	0.066	0.330
Rpim	0.044	0.220
Number of reflections	55037	2775
<I/σ(I)>	16.45	2.88
Completeness [%]	90.6	91.7
Redundancy	2.1	2.1
CC(1/2)	0.998	0.883

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	295	0.2 M Sodium Chloride, 0.1 M Bis-tris pH 5.5, 25% PEG 3350