5GMN

Crystal structure of human carbonic anhydrase II in complex with polmacoxib

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 5C (4A)
Synchrotron site	PAL/PLS
Beamline	5C (4A)
Temperature [K]	100
Detector technology	CCD
Collection date	2008-01-15
Detector	ADSC QUANTUM 315r
Wavelength(s)	1
Spacegroup name	P 21 21 21
Unit cell lengths	41.847, 73.531, 71.133
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.068 - 1.800
R-factor	0.1571
Rwork	0.155
R-free	0.20180
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1oq5
RMSD bond length	0.006
RMSD bond angle	1.222
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	1.800
Number of reflections	20744
<I/σ(I)>	29.6
Completeness [%]	98.9
Redundancy	5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	277	0.1 M Bis-Tris pH 6.5, 28% PEGmme2K