6RMP

Human Carbonic Anhydrase II in complex with fragment.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P14 (MX2)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P14 (MX2)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-11-06
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.7999
Spacegroup name	P 1 21 1
Unit cell lengths	42.405, 41.547, 72.075
Unit cell angles	90.00, 104.65, 90.00

Refinement procedure

Resolution	34.865 - 1.220
R-factor	0.133
Rwork	0.132
R-free	0.16200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ks3
RMSD bond length	0.007
RMSD bond angle	0.989
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.14_3260: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	41.547	1.290
High resolution limit [Å]	1.220	1.220
Number of reflections	72050	11150
<I/σ(I)>	10.17	2.36
Completeness [%]	98.6	94.8
Redundancy	3.72	3.72
CC(1/2)	0.998	0.853

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.8	291	Ammonium sulfate 2.7 M, TRIS 0.1 M, saturated with para-Chloromercuribenzoic acid