7U5X

Crystal Structure Analysis of human Carbonic anhydrase 2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-09-22
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9792
Spacegroup name	P 1 21 1
Unit cell lengths	42.230, 41.260, 72.070
Unit cell angles	90.00, 104.17, 90.00

Refinement procedure

Resolution	69.880 - 1.040
R-factor	0.1482
Rwork	0.147
R-free	0.17050
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3s73
RMSD bond length	0.010
RMSD bond angle	1.445
Data reduction software	XDS
Data scaling software	xia2
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	69.880	70.040	1.060
High resolution limit [Å]	1.040	2.820	1.040
Rmeas	0.067	0.053	1.494
Rpim	0.026	0.020	0.836
Total number of observations	564544	37627	1265
Number of reflections	90335	5912	442
<I/σ(I)>	13.7	29.4	0.7
Completeness [%]	78.2	99.4	7.6
Redundancy	6.2	6.4	2.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	2.4 M Sodium malate, 100mM Tris pH 8.8