7FGZ

Marine bacterial GH16 hydrolase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-08-24
Detector	DECTRIS PILATUS3 R 200K-A
Wavelength(s)	1.54184
Spacegroup name	P 2 21 21
Unit cell lengths	40.449, 77.293, 82.366
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.320 - 2.200
R-factor	0.164
Rwork	0.162
R-free	0.20890
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3wz1
RMSD bond length	0.009
RMSD bond angle	1.605
Data reduction software	CrysalisPro
Data scaling software	Aimless (0.7.4)
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	19.330	19.320	2.270
High resolution limit [Å]	2.200	8.800	2.200
Rmerge	0.077	0.033	0.236
Rmeas	0.087	0.037	0.303
Rpim	0.039	0.017	0.187
Total number of observations		1002	3025
Number of reflections	13669	236	1247
<I/σ(I)>	13.8	26.9	3.7
Completeness [%]	99.6	90.9	98.2
Redundancy	4.4	4.2	2.4
CC(1/2)	0.996	0.998	0.865

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	100mM HEPS (pH7.5), 20% PEGMME 500, 10% PEG 20000