1EKJ

THE X-RAY CRYSTALLOGRAPHIC STRUCTURE OF BETA CARBONIC ANHYDRASE FROM THE C3 DICOT PISUM SATIVUM

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS
Synchrotron site	APS
Temperature [K]	100
Detector technology	CCD
Collection date	1999-06-01
Detector	ADSC QUANTUM 4
Spacegroup name	C 2 2 2
Unit cell lengths	136.909, 143.318, 202.135
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.000 - 1.930
R-factor	0.229
Rwork	0.229
R-free	0.25000
RMSD bond length	0.012
RMSD bond angle	22.900 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SHARP
Refinement software	CNS (0.5)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000
High resolution limit [Å]	1.930	1.930
Rmerge	0.067	0.277
Total number of observations	779081 *
Number of reflections	138484
<I/σ(I)>	13
Completeness [%]	93.2	78.5
Redundancy	5.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	5 *	4 *	16% PEG 4000, 0.05 M DITHIOTHREITOL, 0.4 M AMMONIUM ACETATE, 0.1 M SODIUM CITRATE, pH 5.2, VAPOR DIFFUSION, HANGING DROP, temperature 277.0K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PEG4000	16 (%)
2	1	reservoir	ammonium acetate	400 (mM)
3	1	reservoir	dithiothreitol	50 (mM)
4	1	reservoir	sodium citrate	100 (mM)