1A2Z

PYRROLIDONE CARBOXYL PEPTIDASE FROM THERMOCOCCUS LITORALIS

Experimental procedure

Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE X11
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	X11
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1997-05-29
Detector	MARRESEARCH
Spacegroup name	P 21 21 2
Unit cell lengths	91.644, 147.010, 71.553
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 1.730
R-factor	0.187 *
Rwork	0.180
R-free	0.21400 *
Structure solution method	MULTIPLE ISOMORPHOUS REPLACEMENT
RMSD bond length	0.013 *
RMSD bond angle	1.400 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MLPHARE
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.730	1.760
High resolution limit [Å]	1.700	1.730
Rmerge	0.090 *	0.284
Number of reflections	104008
<I/σ(I)>	9	3
Completeness [%]	97.4 *	97
Redundancy	4.5	4.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7.5 *		PROTEIN WAS CRYSTALLIZED FROM 35% AMMONIUM SULFATE, 50 MM POTASSIUM PHOSPHATE, PH 6.5

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	10 (mg/ml)
2	1	drop	potassium phosphate	50 (mM)
3	1	drop	dithiothreitol	10 (mM)
4	1	reservoir	ammonium sulfate	35 (%)
5	1	reservoir	potassium phosphate	50 (mM)