6FRZ

Phosphotriesterase PTE_A53_7

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RUH3R
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2014-04-28
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5415
Spacegroup name	P 1 21 1
Unit cell lengths	54.350, 81.125, 70.583
Unit cell angles	90.00, 94.94, 90.00

Refinement procedure

Resolution	24.193 - 1.650
R-factor	0.162
Rwork	0.161
R-free	0.18050
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1hzy
RMSD bond length	0.006
RMSD bond angle	0.941
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]	24.190	1.710
High resolution limit [Å]	1.650	1.650
Number of reflections	73193	7292
<I/σ(I)>	15.19	5.3
Completeness [%]	99.7	99.6
Redundancy	4.4	4.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	10% PEG 8000 0.05M Tris pH=7.5