6KM3

Human Carbonic Anhydrase II native 00 atm CO2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 5C (4A)
Synchrotron site	PAL/PLS
Beamline	5C (4A)
Temperature [K]	100
Detector technology	CCD
Collection date	2019-04-09
Detector	ADSC QUANTUM 270
Wavelength(s)	0.8856
Spacegroup name	P 1 21 1
Unit cell lengths	42.143, 41.198, 72.112
Unit cell angles	90.00, 104.17, 90.00

Refinement procedure

Resolution	29.011 - 1.150
Rwork	0.104
R-free	0.12780
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5yuk
RMSD bond length	0.031
RMSD bond angle	2.456
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	REFMAC
Refinement software	REFMAC (5.8.0124 2015/06/02)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.170
High resolution limit [Å]	1.150	1.150
Rmerge	0.070	0.195
Number of reflections	80785	3925
<I/σ(I)>	24.67	11.87
Completeness [%]	94.6
Redundancy	7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.8	293	1.3 M sodium citrate, 100 mM Tris-HCl