9VOB

Co-crystal structure of MAP4K6 in complex with compound 22

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-10-16
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.98
Spacegroup name	P 65 2 2
Unit cell lengths	58.264, 58.264, 359.585
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	25.230 - 2.120
R-factor	0.2784
Rwork	0.278
R-free	0.29650
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.418
Data reduction software	DENZO
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.170
High resolution limit [Å]	2.120	2.120
Number of reflections	22077	14
<I/σ(I)>	55.4
Completeness [%]	99.0
Redundancy	19.6
CC(1/2)	1.000	0.952

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		289	0.1M NaCl, 0.1M TRIS pH7.5, 11% PEG4000