4GY0

Round 18 Arylesterase Variant of Phosphotriesterase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2010-11-07
Detector	MAR scanner 300 mm plate
Wavelength(s)	0.87260
Spacegroup name	P 21 21 2
Unit cell lengths	86.109, 86.366, 89.192
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.465 - 1.850
R-factor	0.1972
Rwork	0.195
R-free	0.24130
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.075
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	PHENIX ((phenix.refine: 1.7.1_743))

Data quality characteristics

	Overall
Low resolution limit [Å]	24.490
High resolution limit [Å]	1.850
Number of reflections	57457
Completeness [%]	100.0

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	277.15	30% MPD, 2% PEG 8K, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 277.15K