8SD1

Carbonic anhydrase II radiation damage RT 1-30

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	FREE ELECTRON LASER
Source details	PAL-XFEL BEAMLINE CSI
Synchrotron site	PAL-XFEL
Beamline	CSI
Temperature [K]	293
Detector technology	CCD
Collection date	2018-11-03
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9794
Spacegroup name	P 1 21 1
Unit cell lengths	42.592, 41.324, 72.499
Unit cell angles	90.00, 104.37, 90.00

Refinement procedure

Resolution	24.683 - 1.298
R-factor	0.1407
Rwork	0.140
R-free	0.14910
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ks3
RMSD bond length	0.009
RMSD bond angle	1.065
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX ((1.15.2_3472: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.320
High resolution limit [Å]	1.298	1.298
Rmeas	0.140	0.200
Number of reflections	59893	59893
<I/σ(I)>	16
Completeness [%]	99.0
Redundancy	5.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.8	293	1.6 M sodium citrate, 50 mM tris base