9KOJ

Crystal structure of the isomerase Art22

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-07-01
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97853
Spacegroup name	P 21 21 21
Unit cell lengths	46.460, 78.005, 150.398
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.599 - 1.445
R-factor	0.1787
Rwork	0.178
R-free	0.20290
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.941
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX ((1.14_3260: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	37.600	1.496
High resolution limit [Å]	1.445	1.445
Rmerge	0.112	0.699
Rmeas	0.117	0.728
Rpim	0.032
Number of reflections	98532	9571
<I/σ(I)>	12.58	2.25
Completeness [%]	99.8
Redundancy	12.8
CC(1/2)	0.997	0.927

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.6	295.15	0.03M Citric acid, 0.07M BIS-TRIS propane, 20% w/v Polyethylene glycol 3350