8G32

Pro-form of a CDCL short from E. anophelis

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-03-07
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9537
Spacegroup name	P 32 2 1
Unit cell lengths	171.629, 171.629, 61.334
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	74.320 - 1.850
R-factor	0.1621
Rwork	0.162
R-free	0.17990
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.047
Data reduction software	DIALS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.17_3644)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	74.320	1.916
High resolution limit [Å]	1.850	1.850
Rmerge	0.215
Rmeas	0.218
Rpim	0.040	0.592
Number of reflections	88308	8759
<I/σ(I)>	13.61	1.58
Completeness [%]	98.0	92.83
Redundancy	29.7	18.3
CC(1/2)	0.999	0.623

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.4	297.15	0.1 M Bis-Tris pH 6.4, 0.1 M sodium chloride, 1.75 M ammonium sulfate