7U5W

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	2019-10-19
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9792
Spacegroup name	P 21 21 21
Unit cell lengths	42.160, 71.460, 73.820
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.610 - 1.130
R-factor	0.1583
Rwork	0.157
R-free	0.18000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3s73
RMSD bond length	0.010
RMSD bond angle	1.300
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]	36.610	36.630	1.150
High resolution limit [Å]	1.130	3.070	1.130
Rmeas	0.052	0.027	0.949
Rpim	0.026	0.014	0.609
Total number of observations	276676	15462	5653
Number of reflections	81942	4270	3283
<I/σ(I)>	12.3	44.5	1
Completeness [%]	97.4	95.2	79.4
Redundancy	3.4	3.6	1.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0% PEG1000 and 0.1M Tris pH 8.0