7VPA

Crystal structure of Ple629 from marine microbial consortium

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	2021-07-05
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.0
Spacegroup name	P 32
Unit cell lengths	73.927, 73.927, 90.737
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	28.660 - 2.350
R-factor	0.2038
Rwork	0.200
R-free	0.27010
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6sbn
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.19)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	30.000	2.430
High resolution limit [Å]	2.350	5.060	2.350
Rmerge	0.225	0.121	0.679
Rmeas	0.237	0.128	0.718
Rpim	0.074	0.040	0.230
Total number of observations	238395
Number of reflections	22794	2208	2288
<I/σ(I)>	7.9
Completeness [%]	98.6	95.3	100
Redundancy	10.5	10.6	9.5
CC(1/2)		0.986	0.720

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.6	295	30% PEG 8000, 0.2M ammonium acetate, 0.1M tri-Sodium citrate dihydrate, pH 5.6