3B1B

The unique structure of wild type carbonic anhydrase alpha-CA1 from Chlamydomonas reinhardtii

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE AR-NW12A
Synchrotron site	Photon Factory
Beamline	AR-NW12A
Temperature [K]	100
Detector technology	CCD
Collection date	2005-06-27
Detector	ADSC QUANTUM 210
Wavelength(s)	1.00, 1.28254, 1.28297
Spacegroup name	P 65
Unit cell lengths	134.300, 134.300, 120.100
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	41.300 - 1.880
R-factor	0.18886
Rwork	0.187
R-free	0.21757
Structure solution method	MAD
RMSD bond length	0.015
RMSD bond angle	1.546
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SHARP
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.950
High resolution limit [Å]	1.880	1.880
Rmerge	0.082	0.314
Number of reflections	99548
<I/σ(I)>	60	8.7
Completeness [%]	99.9	100
Redundancy	10.6	10

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	298	1.0-2.0M Ammonium sulfate, 100mM Tris-HCl (pH8.5), VAPOR DIFFUSION, HANGING DROP, temperature 298K