6FFW

Phosphotriesterase PTE_A53_5

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RUH3R
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2014-05-29
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.541
Spacegroup name	P 1 21 1
Unit cell lengths	54.780, 81.510, 70.690
Unit cell angles	90.00, 94.92, 90.00

Refinement procedure

Resolution	23.477 - 1.495
R-factor	0.1625
Rwork	0.161
R-free	0.18520
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1hzy
RMSD bond length	0.005
RMSD bond angle	0.911
Data reduction software	HKL-3000
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX ((1.11.1-2575_1692: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	23.480	1.550
High resolution limit [Å]	1.490	1.490
Number of reflections	99608	9805
<I/σ(I)>	16.7	5.9
Completeness [%]	99.6	98.4
Redundancy	4.3	4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	292	20% PEG 8000 0.1M Tris pH=7.5