1AWT

SECYPA COMPLEXED WITH HAGPIA

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	1995-06
Detector	MARRESEARCH
Spacegroup name	P 41
Unit cell lengths	73.200, 73.200, 189.600
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	15.000 - 2.550
R-factor	0.378
Rwork	0.378
R-free	0.46500
Structure solution method	MAD
RMSD bond length	0.011
RMSD bond angle	26.000 *
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	0.075 *	0.206 *
Total number of observations	159378 *
Number of reflections	32487
<I/σ(I)>	6
Completeness [%]	97.2	98

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)