2O6X

Crystal Structure of ProCathepsin L1 from Fasciola hepatica

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.3.1
Synchrotron site	ALS
Beamline	8.3.1
Temperature [K]	100
Detector technology	CCD
Collection date	2004-01-12
Detector	ADSC QUANTUM 210
Wavelength(s)	1.11588
Spacegroup name	P 21 21 2
Unit cell lengths	57.271, 105.961, 49.180
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	52.930 - 1.400
R-factor	0.129
Rwork	0.128
R-free	0.16500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	POLYSERINE MODEL DERIVED FROM PDB ID 1CS8
RMSD bond length	0.020
RMSD bond angle	1.792
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	57.260	1.480
High resolution limit [Å]	1.400	1.400
Number of reflections	59595
<I/σ(I)>	14.6	1.8
Completeness [%]	99.7	98.7
Redundancy	5.6	2.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	296	0.2M NaSCN, 20% PEG 3350, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 296K