1GVU

Endothiapepsin complex with H189

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-2
Synchrotron site	ESRF
Beamline	ID14-2
Temperature [K]	130
Detector technology	CCD
Collection date	2001-04-01
Detector	ADSC CCD
Spacegroup name	P 1 21 1
Unit cell lengths	42.477, 75.779, 42.987
Unit cell angles	90.00, 95.43, 90.00

Refinement procedure

Resolution	10.000 - 0.940
R-factor	0.1096 *
R-free	0.12300 *
Structure solution method	OTHER
RMSD bond length	0.022
RMSD bond angle	0.041
Data reduction software	MOSFLM
Data scaling software	SCALA
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	10.000	1.030
High resolution limit [Å]	0.940 *	0.940 *
Rmerge	0.040 *	0.163 *
Number of reflections	146980 *
<I/σ(I)>	5.2	2.3
Completeness [%]	86.2 *	72.5 *
Redundancy	2.7 *	2.1 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	unknown *	4.5		PH 4.50

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	1	enzyme	2.0 (mg/ml)
2	1	1	sodium acetate	100 (mM)