7Q68

Crystal structure of Chaetomium thermophilum wild-type Ahp1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-09-18
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97625
Spacegroup name	P 43 2 2
Unit cell lengths	75.249, 75.249, 110.241
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.920 - 1.750
R-factor	0.1885
Rwork	0.188
R-free	0.20190
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4dsr
RMSD bond length	0.005
RMSD bond angle	0.584
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.920	1.850
High resolution limit [Å]	1.750	1.750
Rmerge	0.067	1.883
Rmeas	0.071	1.991
Number of reflections	32659	5130
<I/σ(I)>	14.81	0.84
Completeness [%]	99.8	99.1
Redundancy	9.329	9.456
CC(1/2)	0.998	0.719

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	294	2 M Ammonium Sulfate and 0.1 M Sodium cacodylate -pH 6.5.