1FLJ

CRYSTAL STRUCTURE OF S-GLUTATHIOLATED CARBONIC ANHYDRASE III

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	SIEMENS
Temperature [K]	298
Detector technology	AREA DETECTOR
Collection date	1994-05-01
Detector	SIEMENS
Spacegroup name	P 1 21 1
Unit cell lengths	41.250, 44.730, 66.910
Unit cell angles	90.00, 99.73, 90.00

Refinement procedure

Resolution	5.000 - 1.800
R-factor	0.155
Rwork	0.155
R-free	0.21300
RMSD bond length	0.009
RMSD bond angle	1.510
Data reduction software	X-GEN
Data scaling software	X-GEN
Phasing software	X-PLOR
Refinement software	X-PLOR

Data quality characteristics

	Overall
Low resolution limit [Å]	5.000
High resolution limit [Å]	1.800
Rmerge	0.054 *
Total number of observations	44741 *
Number of reflections	20193
<I/σ(I)>	5.4
Completeness [%]	90.0
Redundancy	2.216

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	298	PEG 3350, propanol, HEPES, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	10 (mg/ml)
2	1	drop	propanol	10 (%(v/v))
3	1	drop	PEG3350	15-20 (%(w/v))
4	1	drop	HEPES	100 (mM)
5	1	reservoir	propanol	10 (%(v/v))
6	1	reservoir	PEG3350	15-20 (%(w/v))
7	1	reservoir	HEPES	100 (mM)