7Z3H

Crystal structure of Iba57 from Chaetomium thermophilum

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-02-27
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97856
Spacegroup name	P 1 21 1
Unit cell lengths	96.530, 134.180, 107.010
Unit cell angles	90.00, 97.59, 90.00

Refinement procedure

Resolution	47.340 - 2.400
R-factor	0.2398
Rwork	0.238
R-free	0.27350
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6ESR
RMSD bond length	0.003
RMSD bond angle	0.633
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.340	2.486
High resolution limit [Å]	2.400	2.400
Rmerge	0.100	1.474
Number of reflections	104927	10450
<I/σ(I)>	9.19	1.08
Completeness [%]	99.5
Redundancy	3.7
CC(1/2)	0.995	0.357

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		294	0.1 M Citric acid pH 4.0 5 % (w/v) PEG 6000