1DDZ

X-RAY STRUCTURE OF A BETA-CARBONIC ANHYDRASE FROM THE RED ALGA, PORPHYRIDIUM PURPUREUM R-1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL45XU
Synchrotron site	SPring-8
Beamline	BL45XU
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1998-04-15
Detector	RIGAKU RAXIS IV
Spacegroup name	P 1 21 1
Unit cell lengths	63.500, 112.800, 73.200
Unit cell angles	90.00, 103.60, 90.00

Refinement procedure

Resolution	10.000 - 2.200
R-factor	0.208
Rwork	0.208
R-free	0.27400
RMSD bond length	0.011
RMSD bond angle	2.300
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SHARP
Refinement software	X-PLOR (3.843)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	60.000	2.280
High resolution limit [Å]	2.200	2.200
Rmerge	0.071	0.227
Total number of observations	326527 *
Number of reflections	50489	5016 *
<I/σ(I)>	16.4
Completeness [%]	99.8	99.8
Redundancy	6.5	5.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5 *	20 *	PEG4000, AMMONIUM SULFATE, SODIUM CACODYLATE, pH 6.75, VAPOR DIFFUSION, HANGING DROP, temperature 293K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	30 (mg/ml)
2	1	drop		20 (mM)
3	1	drop	Tris-HCl	20 (mM)
4	1	reservoir	PEG4000	24 (%)
5	1	reservoir	ammonium sulfate	300 (mM)
6	1	reservoir	sodium cacodylate	50 (mM)