6FQE

Phosphotriesterase PTE_A53_4

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RUH3R
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2014-06-06
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5141
Spacegroup name	P 1 21 1
Unit cell lengths	54.550, 81.300, 70.610
Unit cell angles	90.00, 94.96, 90.00

Refinement procedure

Resolution	30.143 - 1.750
R-factor	0.1611
Rwork	0.160
R-free	0.18650
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1hzy
RMSD bond length	0.006
RMSD bond angle	0.934
Data reduction software	HKL-3000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX ((1.11.1-2575_1692: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.143	1.813
High resolution limit [Å]	1.750	1.750
Rmerge	0.026	0.163
Number of reflections	58412	5591
<I/σ(I)>	18.96	4.57
Completeness [%]	94.3	90.59
Redundancy	7.6	7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	12% PEG 8000 0.05M Tris pH=7.5