7Q6A

Crystal structure of Chaetomium thermophilum C30S Ahp1 in post-reaction state

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-01-17
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9184
Spacegroup name	P 1
Unit cell lengths	35.842, 41.101, 60.820
Unit cell angles	77.09, 75.12, 67.27

Refinement procedure

Resolution	32.460 - 1.100
R-factor	0.162
Rwork	0.161
R-free	0.17390
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4dsr
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.18.2-3874)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	32.460	32.460	1.120
High resolution limit [Å]	1.100	4.900	1.100
Rmerge	0.058	0.025	1.382
Rmeas	0.068	0.029	1.608
Total number of observations	416316
Number of reflections	112459	1398	7438
<I/σ(I)>	10.94	45.78	0.97
Completeness [%]	89.3	98.4	79.6
Redundancy	3.702	3.91	3.641
CC(1/2)	0.999	0.999	0.464

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	294	2 M Ammonium Sulfate and 0.1 M Sodium cacodylate -pH 6.5