8FQY

Carbonic Anhydrase II in complex with the alkyl urea 3h

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CHESS BEAMLINE F1
Synchrotron site	CHESS
Beamline	F1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-03-07
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9775
Spacegroup name	P 1 21 1
Unit cell lengths	42.029, 40.959, 71.408
Unit cell angles	90.00, 104.18, 90.00

Refinement procedure

Resolution	25.150 - 1.466
R-factor	0.1695
Rwork	0.169
R-free	0.18540
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.195
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.19)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.153	1.500
High resolution limit [Å]	1.400	1.400
Rmerge	0.040	0.590
Number of reflections	39506	12291
<I/σ(I)>	15.2
Completeness [%]	97.0
Redundancy	3.3

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