24MP

Crystal structure of the GH134 mannanase from Aspergillus nidulans

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE TPS 05A
Synchrotron site	NSRRC
Beamline	TPS 05A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-10-30
Detector	DECTRIS EIGER2 S 9M
Wavelength(s)	0.9998
Spacegroup name	C 1 2 1
Unit cell lengths	115.857, 50.249, 67.667
Unit cell angles	90.00, 105.47, 90.00

Refinement procedure

Resolution	28.060 - 1.750
R-factor	0.1612
Rwork	0.160
R-free	0.18660
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5jts
RMSD bond length	0.006
RMSD bond angle	0.705
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.810
High resolution limit [Å]	1.750	1.750
Rpim	0.050
Number of reflections	37139	3258
<I/σ(I)>	14.7
Completeness [%]	97.9
Redundancy	3.7
CC(1/2)		0.809

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		283	8 mM 1,6-hexanediol, 8 mM 1-butanol, 8 mM 1,2-propanediol, 8 mM 2-propanol, 8 mM 1,4-butanediol, 8 mM 1,3-propanediol, 40 mM imidazole-MES monohydrate (pH 6.1), 9.6% (v/v) precipitant mix (6.4% ethylene glycol, 3.2% (w/v) PEG 8000), and 3.0% (w/v) 1,5-diaminopentane dihydrochloride.