7YM9

Crystal structure of a PET hydrolase from Cryptosporangium aurantiacum

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 7A (6B, 6C1)
Synchrotron site	PAL/PLS
Beamline	7A (6B, 6C1)
Temperature [K]	100
Detector technology	CCD
Collection date	2020-05-25
Detector	ADSC QUANTUM 270
Wavelength(s)	0.97934
Spacegroup name	P 21 21 2
Unit cell lengths	82.309, 82.449, 87.391
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	26.230 - 1.340
R-factor	0.1726
Rwork	0.172
R-free	0.18270
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5lul
RMSD bond length	0.016
RMSD bond angle	2.008
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.360
High resolution limit [Å]	1.340	3.640	1.340
Rmerge	0.082	0.053	0.512
Rmeas	0.086	0.056	0.538
Rpim	0.025	0.017	0.164
Total number of observations	1647419
Number of reflections	133383	6956	6605
<I/σ(I)>	10
Completeness [%]	99.9	98.5	100
Redundancy	12.4	10.8	10.4
CC(1/2)		0.997	0.948

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	12% (w/v) PEG3350, 0.1 M Sodium malonate pH4.0