9FD1

Structure of the Chaetomium thermophilum Pmt4-MIR domain with bound ligands

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID30B
Synchrotron site	ESRF
Beamline	ID30B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-06-29
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9677
Spacegroup name	I 2 2 2
Unit cell lengths	61.155, 100.628, 103.268
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.030 - 1.220
R-factor	0.1123
Rwork	0.111
R-free	0.13980
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.139
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX ((1.19_4092: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	36.030	1.264
High resolution limit [Å]	1.220	1.220
Number of reflections	64952	497
<I/σ(I)>	22.83
Completeness [%]	68.6
Redundancy	2
CC(1/2)	0.995	0.685

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	1.4 M sodium acetate pH 7, 0.1 M sodium cacodylate pH 6.5