4RVT

MAP4K4 in complex with a pyridin-2(1H)-one derivative

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X10SA
Synchrotron site	SLS
Beamline	X10SA
Temperature [K]	90
Detector technology	PIXEL
Collection date	2014-05-29
Detector	PSI PILATUS 6M
Wavelength(s)	1.007180
Spacegroup name	P 21 21 21
Unit cell lengths	79.990, 90.250, 90.970
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.490 - 2.400
R-factor	0.2121
Rwork	0.209
R-free	0.27760
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4u43
RMSD bond length	0.007
RMSD bond angle	1.225
Data scaling software	XSCALE
Phasing software	PHASER (2.5.5)
Refinement software	REFMAC (5.8.0049)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	45.490		2.460
High resolution limit [Å]	2.400	10.730	2.400
Rmerge	0.089	0.012	0.012
Number of reflections	26382	346	1926
<I/σ(I)>	16.64	55.06	1.79
Completeness [%]	99.9	98.9	100
Redundancy	6.47		6.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.4	293	0.1M MES, 14% v/v PEG 8000, pH 6.4, VAPOR DIFFUSION, HANGING DROP, temperature 293K