33BU

Streptomyces sp. TLI_171 GH5_7 Mannanase, WT, product bound

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P13 (MX1)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-08-10
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.97625
Spacegroup name	P 4 21 2
Unit cell lengths	138.103, 138.103, 83.056
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	97.650 - 1.120
R-factor	0.14787
Rwork	0.148
R-free	0.15986
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	DIALS (3.12.1-g1c07bc2b3-release)
Data scaling software	DIALS (3.12.1-g1c07bc2b3-release)
Phasing software	PHASER (2.8.3)
Refinement software	REFMAC (5.8.0430)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	138.100	139.160	1.140
High resolution limit [Å]	1.120	3.050	1.120
Rmerge	0.083	0.043	1.258
Rmeas	0.084	0.044	1.297
Number of reflections	299748	15823	14398
<I/σ(I)>	18.1	86.4	1.1
Completeness [%]	99.9	100	96.93
Redundancy	26.1	26.4	16.9
CC(1/2)	1.000	0.999	0.764

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	16% PEG 8000, NaAc, 100 mM MES pH 6