5ZXW

Crystal structure of human carbonic anhydrase II crystallized by ammonium sulfate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-1A
Synchrotron site	Photon Factory
Beamline	BL-1A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-11-17
Detector	DECTRIS EIGER X 4M
Wavelength(s)	1.000
Spacegroup name	P 1 21 1
Unit cell lengths	42.102, 41.323, 72.130
Unit cell angles	90.00, 104.19, 90.00

Refinement procedure

Resolution	34.965 - 1.316
R-factor	0.1722
Rwork	0.171
R-free	0.19820
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5eh7
Data reduction software	XDS
Data scaling software	Aimless (0.1.27)
Phasing software	MOLREP (11.0.05)
Refinement software	PHENIX (1.13_2998: ???)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	41.320	41.320	1.300
High resolution limit [Å]	1.280	6.990	1.280
Rmerge	0.061	0.044	1.103
Rmeas	0.072	0.053	1.327
Rpim	0.038	0.030	0.726
Total number of observations	204824
Number of reflections	58025	393	2345
<I/σ(I)>	10.4
Completeness [%]	92.8	94.2	76.9
Redundancy	3.5	2.8	3.1
CC(1/2)	0.998	0.996	0.436

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.3	281	2.7M ammonium sulfate