7VMD

Crystal structure of a hydrolases Ple628 from marine microbial consortium

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17B1
Synchrotron site	SSRF
Beamline	BL17B1
Temperature [K]	100
Detector technology	CCD
Collection date	2021-07-04
Detector	RAYONIX MX300HE
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	43.733, 64.540, 81.409
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.970 - 1.690
R-factor	0.1556
Rwork	0.154
R-free	0.18590
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 (1.19.2_4158)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	30.000	1.750
High resolution limit [Å]	1.690	3.640	1.690
Rmerge	0.124	0.055	0.620
Rmeas	0.132	0.058	0.665
Rpim	0.044	0.019	0.234
Total number of observations	230187
Number of reflections	26625	2849	2576
<I/σ(I)>	3.6
Completeness [%]	99.8	99.7	99
Redundancy	8.6	8.6	7.4
CC(1/2)		0.998	0.810

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	295	20% PEG 8000, 0.2M calcium acelate, 0.1M sodium cacodylate