1IVY

PHYSIOLOGICAL DIMER HPP PRECURSOR

Experimental procedure

Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL7-1
Synchrotron site	SSRL
Beamline	BL7-1
Temperature [K]	95
Detector technology	IMAGE PLATE
Collection date	1994-03-24
Detector	MARRESEARCH
Spacegroup name	P 21 21 2
Unit cell lengths	115.040, 148.110, 80.970
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	8.000 - 2.200
R-factor	0.213
Rwork	0.213
R-free	0.26800
Structure solution method	MOLECULAR REPLACEMENT AND TWO-FOLD AVERAGING
Starting model (for MR)	SERINE CARBOXYPEPTIDASE FROM WHEAT
RMSD bond length	0.012
RMSD bond angle	1.720
Data reduction software	MOSFLM (5.2)
Data scaling software	CCP4 ((AGROVATA)
Phasing software	X-PLOR (3.1)
Refinement software	X-PLOR (3.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	32.300	2.260
High resolution limit [Å]	2.200	2.200
Rmerge	0.051	0.130 *
Total number of observations	436709 *
Number of reflections	67740
<I/σ(I)>	9.8	5.7
Completeness [%]	95.7	87
Redundancy	6	6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	unknown *	8.3	285	PEG 8000, PH 8.0 - 8.3 AT 4 - 12 DEGREES CELSIUS, temperature 285K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	1	PEG8000