1AWR

CYPA 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
Collection date	1995-10-28
Detector	MARRESEARCH
Spacegroup name	P 41
Unit cell lengths	72.910, 72.910, 188.560
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	15.000 - 1.580
R-factor	0.394
Rwork	0.394
R-free	0.46100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2cyh
RMSD bond length	0.013
RMSD bond angle	25.700 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	X-PLOR (3.843)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	15.000	1.610
High resolution limit [Å]	1.580	1.580
Rmerge	0.088 *	0.278 *
Total number of observations	1295142 *
Number of reflections	147562
<I/σ(I)>	4.2
Completeness [%]	88.4	54.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	unknown *	8.4	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)