8IWD

Aspergillus niger Rha-2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL10U2
Synchrotron site	SSRF
Beamline	BL10U2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-09-25
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.979183
Spacegroup name	P 31 2 1
Unit cell lengths	100.302, 100.302, 145.342
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	55.740 - 2.810
R-factor	0.1973
Rwork	0.195
R-free	0.23660
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.767
Data reduction software	autoPROC
Data scaling software	autoPROC
Phasing software	PHENIX (1.20.1_4487)
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	145.340	2.960
High resolution limit [Å]	2.810	2.810
Rmerge	0.129
Number of reflections	20573	3012
<I/σ(I)>	13.6
Completeness [%]	97.0
Redundancy	8.6
CC(1/2)	0.998	0.889

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291.15	30% PEG1500, 0.1M Tris pH 7.8