4ZX0

Human Carbonic Anhydrase II in complex with a glucosyl sulfamate inhibitor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RUH3R
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2015-03-18
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	42.293, 41.474, 72.317
Unit cell angles	90.00, 104.25, 90.00

Refinement procedure

Resolution	19.962 - 1.600
R-factor	0.153
Rwork	0.152
R-free	0.17850
RMSD bond length	0.007
RMSD bond angle	1.246
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (dev_1839)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	19.962	20.000	1.630
High resolution limit [Å]	1.600	4.330	1.600
Rmerge	0.063	0.048	0.413
Rmeas	0.074	0.057	0.490
Rpim	0.039	0.030	0.260
Total number of observations	112063
Number of reflections	31565
<I/σ(I)>	14.3
Completeness [%]	97.7	99.9	95
Redundancy	3.6	3.6	3.4
CC(1/2)		0.994	0.842

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.8	293	1.6 M sodium citrate, 50 mM Tris-HCl