2WDU

Fasciola hepatica sigma class GST

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	SIEMENS ROTATING ANODE COPPER K ALPHA
Temperature [K]	100
Detector technology	IMAGE PLATE
Detector	MARRESEARCH
Spacegroup name	P 21 21 21
Unit cell lengths	53.947, 87.419, 93.988
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	64.420 - 1.620
R-factor	0.19262
Rwork	0.191
R-free	0.22384
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2w9b
RMSD bond length	0.014
RMSD bond angle	1.428
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	REFMAC (5.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.700
High resolution limit [Å]	1.610	1.610
Rmerge	0.070	0.590
Number of reflections	56342
<I/σ(I)>	16.1	1.7
Completeness [%]	95.5	77.9
Redundancy	4.6	4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1				0.15M KBR, 20% PEG 3350