9VO9

Co-crystal structure of MAP4K4 in complex with compound 16

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-12-19
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.98
Spacegroup name	P 21 21 21
Unit cell lengths	57.618, 99.892, 234.967
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.040 - 2.750
R-factor	0.2397
Rwork	0.237
R-free	0.28870
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.442
Data reduction software	DENZO
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.880
High resolution limit [Å]	2.750	2.750
Number of reflections	35942	4405
<I/σ(I)>	15.5
Completeness [%]	100.0
Redundancy	10.9
CC(1/2)	0.992	0.749

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		289	0.36 M NaCl/0.1% sodium azide, 0.015 M sodium phosphate 7.0