1GDE

CRYSTAL STRUCTURE OF PYROCOCCUS PROTEIN A-1 E-FORM

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-6A
Synchrotron site	Photon Factory
Beamline	BL-6A
Temperature [K]	100
Detector technology	CCD
Collection date	2000-06-11
Detector	ADSC QUAMTUM 4r
Spacegroup name	P 21 21 21
Unit cell lengths	59.330, 121.900, 127.000
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	8.000 - 1.800
R-factor	0.198 *
Rwork	0.198
R-free	0.23000
RMSD bond length	0.010
RMSD bond angle	23.180 *
Data reduction software	MOSFLM
Data scaling software	CCP4 ((TRUNCATE))
Phasing software	X-PLOR
Refinement software	X-PLOR (3.851)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.900
High resolution limit [Å]	1.800	1.800
Rmerge	0.053	0.185
Total number of observations	309808 *
Number of reflections	84494
<I/σ(I)>	10.2
Completeness [%]	98.6	98.6
Redundancy	3.7	3.48

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8 *	20 *	1,6-hexane diol, Tris, magnesium chloride, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293.0K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	HEPES	5 (mM)
2	1	drop		10 (mM)
3	1	drop	protein	0.2 (mM)
4	1	reservoir	1,6-hexanediol	3 (M)
5	1	reservoir	HEPES	100 (mM)
6	1	reservoir		10 (mM)