4ZAO

Genetically engineered Carbonic anhydrase IX

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	2012-06-05
Detector	ADSC QUANTUM 210
Wavelength(s)	0.918
Spacegroup name	P 1 21 1
Unit cell lengths	41.787, 41.231, 72.044
Unit cell angles	90.00, 103.83, 90.00

Refinement procedure

Resolution	19.880 - 1.800
R-factor	0.1766
Rwork	0.175
R-free	0.20480
RMSD bond length	0.006
RMSD bond angle	1.044
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (DEV_1839)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.860
High resolution limit [Å]	1.800	1.800
Rmerge		0.063
Number of reflections	21707
<I/σ(I)>	4559	2.4
Completeness [%]	97.5	97.1
Redundancy	2.7	2.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.8	298	10 mg/ml in 50 mM Tris-HCl at ph 7.8