2NPT

Crystal Structure of the complex of human mitogen activated protein kinase kinase 5 phox domain (MAP2K5-phox) with human mitogen activated protein kinase kinase kinase 2 phox domain (MAP3K2-phox)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X10SA
Synchrotron site	SLS
Beamline	X10SA
Temperature [K]	100
Detector technology	CCD
Collection date	2006-09-23
Detector	MARMOSAIC 225 mm CCD
Spacegroup name	P 21 21 21
Unit cell lengths	46.333, 61.410, 143.651
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.000 - 1.750
R-factor	0.20166
Rwork	0.199
R-free	0.24750
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	pdb entries 2CU1 2c60 1wi0
RMSD bond length	0.016
RMSD bond angle	1.519
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	61.430	1.840
High resolution limit [Å]	1.750	1.750
Rmerge	0.063	0.876
Number of reflections	42219
<I/σ(I)>	7.3	0.8
Completeness [%]	99.9	99.5
Redundancy	6.7	5.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	277	0.2M NH4(CH3COO), 0.1M TRIS, 25% PEG 3350, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K
1	VAPOR DIFFUSION, SITTING DROP	8.5	277	0.2M NH4(CH3COO), 0.1M TRIS, 25% PEG 3350, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K