1OD1

Endothiapepsin PD135,040 complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	CCD
Collection date	2003-01-06
Detector	ADSC CCD
Spacegroup name	P 1 21 1
Unit cell lengths	53.201, 73.249, 45.993
Unit cell angles	90.00, 110.10, 90.00

Refinement procedure

Resolution	10.000 - 1.370
R-factor	0.125
R-free	0.15340 *
Structure solution method	OTHER
RMSD bond length	0.012
RMSD bond angle	0.042
Data reduction software	MOSFLM
Data scaling software	SCALA
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	10.000	1.440
High resolution limit [Å]	1.370	1.370
Rmerge	0.113	0.365
Number of reflections	68317
<I/σ(I)>	3.2	1.7
Completeness [%]	98.3	95.5
Redundancy	6.80 *	4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	4.6		PH 4.60

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	2.0 (mg/ml)	pH4.6
2	1	drop	sodium acetate	0.1 (M)
3	1	reservoir	ammonium solution	100 (%sat)
4	1	reservoir	sodium acetate	0.1 (M)	pH4.7