3MDZ

Crystal Structure of Human Carbonic Anhydrase VII [isoform 1], CA7

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I24
Synchrotron site	Diamond
Beamline	I24
Temperature [K]	100
Detector technology	CCD
Collection date	2010-03-06
Detector	RAYONIX MX-300
Wavelength(s)	0.979
Spacegroup name	C 2 2 21
Unit cell lengths	69.710, 97.746, 82.443
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.740 - 2.320
R-factor	0.20268
Rwork	0.200
R-free	0.25204
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3caj
RMSD bond length	0.015
RMSD bond angle	1.570
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.740	2.450
High resolution limit [Å]	2.320	2.320
Rmerge	0.078	0.707
Number of reflections	12474
<I/σ(I)>	11.4	2
Completeness [%]	99.4	100
Redundancy	4.3	4.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.5	293	0.2M Na/K tartrate, 1M Ammonium Sulphate, 0.1M Tri Nacit, pH 4.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K