5JNA

Crystal structure for the complex of human carbonic anhydrase IV and topiramate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2015-02-26
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	64.908, 123.798, 151.430
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	95.850 - 2.000
R-factor	0.17452
Rwork	0.172
R-free	0.21835
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB ID 1ZNC
RMSD bond length	0.010
RMSD bond angle	1.339
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	95.850	2.030
High resolution limit [Å]	2.000	2.000
Rmerge	0.096	0.424
Number of reflections	80516
<I/σ(I)>	12.1	2.4
Completeness [%]	96.8	92.7
Redundancy	4.7	3.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.6	277	100 mM Na acetate, 200 mM AmSO4 and 21% PEG 4000