8K1W

Crystal structure of PLA2 from Saccharothrix espanaensis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-01-14
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9796
Spacegroup name	P 21 21 21
Unit cell lengths	32.741, 37.679, 84.557
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.417 - 1.302
R-factor	0.152838555594
Rwork	0.153
R-free	0.15688
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.068
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692+SVN)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.320
High resolution limit [Å]	1.300	1.300
Number of reflections	26771	1276
<I/σ(I)>	25
Completeness [%]	100.0
Redundancy	11.9
CC(1/2)	0.994	0.962

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		293	0.1 M Tris-HCl, pH 8.5, 30% 2-Propanol, 30% PEG 3350