5DVX

Crystal structure of the catalytic-domain of human carbonic anhydrase IX at 1.6 angstrom resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CHESS BEAMLINE F1
Synchrotron site	CHESS
Beamline	F1
Temperature [K]	100
Detector technology	CCD
Collection date	2015-05-12
Detector	ADSC QUANTUM 270
Wavelength(s)	0.9177
Spacegroup name	P 21 21 21
Unit cell lengths	57.877, 102.744, 108.964
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.835 - 1.598
R-factor	0.1683
Rwork	0.168
R-free	0.19130
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3iai
RMSD bond length	0.007
RMSD bond angle	1.151
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]	20.000	20.000	1.630
High resolution limit [Å]	1.600	4.330	1.600
Rmerge	0.100	0.069	0.565
Rmeas	0.108	0.074	0.612
Rpim	0.040	0.028	0.233
Total number of observations	622633
Number of reflections	86682
<I/σ(I)>	5.9
Completeness [%]	99.9	99.4	99.3
Redundancy	7.2	6.8	6.7
CC(1/2)		0.994	0.893

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		290	0.1 M Tris HCl, pH 8.5, 8% (w/v) PEG 8000