7WU1

Crystal structure of phospholipase D from Moritella sp. JT01

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	2021-05-28
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9791
Spacegroup name	P 21 21 21
Unit cell lengths	93.897, 216.644, 277.708
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.810 - 2.300
R-factor	0.2116
Rwork	0.212
R-free	0.21570
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1f0i
RMSD bond length	0.010
RMSD bond angle	0.936
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHENIX
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	23.360	2.380
High resolution limit [Å]	2.300	2.300
Number of reflections	484769	24724
<I/σ(I)>	0.6
Completeness [%]	99.7
Redundancy	9.7
CC(1/2)	0.304	0.304

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		289	0.1 M HEPES sodium/HCl pH 7.4, 0.8 M Potassium sodium tartrate tetrahydrate