8VXZ

Mango II bound to 365A-084

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-05-11
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.000
Spacegroup name	C 2 2 21
Unit cell lengths	37.286, 184.509, 108.116
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.100 - 3.000
R-factor	0.2093
Rwork	0.211
R-free	0.23800
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.535
Data reduction software	xia2 (3.8.6)
Data scaling software	DIALS (3.8)
Phasing software	PHASER (2.8.3)
Refinement software	PHENIX (1.21rc1_5156)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.100	3.190
High resolution limit [Å]	3.000	3.100
Number of reflections	7844	1291
<I/σ(I)>	19.8
Completeness [%]	99.5
Redundancy	12.9
CC(1/2)	0.998	0.414

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		294	HEPES, polyethylene glycol 400, acetonitrile, ammonium acetate