5YUK

CO2 release in human carbonic anhydrase II crystals: reveal histidine 64 and solvent dynamics

Replaces:  5DSN

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CHESS BEAMLINE F2
Synchrotron site	CHESS
Beamline	F2
Temperature [K]	100
Detector technology	CCD
Collection date	2008-12-23
Detector	ADSC QUANTUM 210
Wavelength(s)	0.9795
Spacegroup name	P 1 21 1
Unit cell lengths	42.220, 41.244, 71.963
Unit cell angles	90.00, 104.19, 90.00

Refinement procedure

Resolution	24.520 - 1.450
R-factor	0.0986
Rwork	0.097
R-free	0.13641
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3d92
RMSD bond length	0.021
RMSD bond angle	1.870
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0049)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.480
High resolution limit [Å]	1.450	1.450
Number of reflections	40706
<I/σ(I)>	28.5	3.9
Completeness [%]	100.0	100
Redundancy	7.4	7.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	1.3 M sodium citrate, 100 mM TrisHCl pH 7.8