8HGV

Crystal structure of monoalkyl phthalate hydrolase MehpH

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CAMD BEAMLINE GCPCC
Synchrotron site	CAMD
Beamline	GCPCC
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-07-21
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9786
Spacegroup name	P 21 21 21
Unit cell lengths	77.690, 128.120, 54.460
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.746 - 2.300
R-factor	0.198440728959
Rwork	0.196
R-free	0.23675
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.708
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692+SVN)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	106.690	2.040
High resolution limit [Å]	2.000	2.000
Number of reflections	74613	71121
<I/σ(I)>	12.6
Completeness [%]	100.0
Redundancy	6.6
CC(1/2)	0.977	0.941

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		289	100 mM Tris-HCl pH 7.2, 17% (w/v) PEG 3350 and 200 mM Calcium Acetate