1AWS

SECYPA COMPLEXED WITH HAGPIA (PSEUDO-SYMMETRIC MONOMER)

Experimental procedure

Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X12C
Synchrotron site	NSLS
Beamline	X12C
Temperature [K]	100
Detector technology	IMAGE PLATE AREA DETECTOR
Collection date	1996-06
Detector	MARRESEARCH
Spacegroup name	P 43
Unit cell lengths	51.900, 51.900, 63.400
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	15.000 - 2.550
R-factor	0.262
Rwork	0.262
R-free	0.33700
Structure solution method	MAD
RMSD bond length	0.009
RMSD bond angle	25.900 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	X-PLOR (3.843)
Refinement software	X-PLOR (3.843)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	15.000	2.590
High resolution limit [Å]	2.550	2.550
Rmerge	0.035 *	0.079 *
Total number of observations	26762 *
Number of reflections	5576
<I/σ(I)>	19.1
Completeness [%]	97.6	95.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	unknown *	8.2 *	21 *	pH 8.4

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	1	peptide	6 (mg/ml)
2	1	2	ammonium sulfate	44-54 (%sat)
3	1	2	Tris-HCl	100 (mM)