7VPB

Crystal structure of a novel hydrolase in apo form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-07-04
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.0
Spacegroup name	P 32
Unit cell lengths	71.607, 71.607, 87.327
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	23.440 - 1.680
R-factor	0.1562
Rwork	0.155
R-free	0.17690
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	1.740
High resolution limit [Å]	1.680	3.620	1.680
Rmerge	0.144	0.085	0.745
Rmeas	0.151	0.089	0.785
Rpim	0.044	0.026	0.243
Total number of observations	639478
Number of reflections	56997	5718	5729
<I/σ(I)>	3.4
Completeness [%]	99.9	99.9	99.8
Redundancy	11.2	11.6	9.9
CC(1/2)		0.996	0.820

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