4ZSU

Crystal structure of Brevundimonas diminuta phosphotriesterase mutant L7eP-3aG

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	120
Detector technology	IMAGE PLATE
Collection date	2014-11-07
Detector	RIGAKU
Wavelength(s)	1.54
Spacegroup name	P 1 21 1
Unit cell lengths	45.485, 80.634, 78.839
Unit cell angles	90.00, 106.94, 90.00

Refinement procedure

Resolution	29.573 - 2.011
R-factor	0.1395
Rwork	0.135
R-free	0.18380
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1dpm
RMSD bond length	0.007
RMSD bond angle	1.102
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: dev_1108))

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	2.000
Number of reflections	34657
<I/σ(I)>	18.9
Completeness [%]	95.8
Redundancy	3.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	291	100 mM sodium cacodylate pH 5.5-7.0, 0.2 M magnesium acetate, 15-30% PEG 8000