9FLC

Crystal structure of haspin (GSG2) in complex with MU1668

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-06-18
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0000
Spacegroup name	P 21 21 21
Unit cell lengths	77.822, 77.908, 81.313
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.590 - 2.180
R-factor	0.1663
Rwork	0.165
R-free	0.19705
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.382
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.590	2.260
High resolution limit [Å]	2.180	2.180
Rmerge	0.114	0.973
Rmeas	0.124	1.051
Rpim	0.062	0.396
Number of reflections	26473	2545
<I/σ(I)>	11.1	2
Completeness [%]	100.0
Redundancy	7.5	6.9
CC(1/2)	0.998	0.724

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	63% MPD, 0.1M SPG 7.0