6LVA

Cu- Carbonic Anhydrase II pH 7.8 20 atm CO2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 7A (6B, 6C1)
Synchrotron site	PAL/PLS
Beamline	7A (6B, 6C1)
Temperature [K]	100
Detector technology	CCD
Collection date	2019-12-17
Detector	ADSC QUANTUM 270
Wavelength(s)	0.9793
Spacegroup name	P 1 21 1
Unit cell lengths	42.359, 41.402, 72.307
Unit cell angles	90.00, 103.97, 90.00

Refinement procedure

Resolution	30.000 - 1.200
Rwork	0.113
R-free	0.14190
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5yuk
RMSD bond length	0.029
RMSD bond angle	2.460
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	REFMAC (5.8.0124)
Refinement software	REFMAC (5.8.0124 2015/06/02)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.220
High resolution limit [Å]	1.200	1.200
Rmerge	0.078	0.448
Rmeas	0.084	0.481
Rpim	0.031	0.175
Number of reflections	73862	3600
<I/σ(I)>	25.3	5.5
Completeness [%]	96.9	94.3
Redundancy	7.5	7.5
CC(1/2)	0.999	0.906

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.8	293	1.3 M sodium citrate, 50 mM Tris-HCl