3ODY

Crystal structure of p38alpha Y323Q active mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	CCD
Collection date	2009-06-15
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.93
Spacegroup name	P 1 21 1
Unit cell lengths	37.900, 71.815, 63.542
Unit cell angles	90.00, 95.24, 90.00

Refinement procedure

Resolution	33.801 - 2.200
R-factor	0.226
Rwork	0.222
R-free	0.30440
Structure solution method	molrep
RMSD bond length	0.012
RMSD bond angle	1.434
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	PHENIX ((phenix.refine: dev_392))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.240
High resolution limit [Å]	2.200	2.200
Number of reflections	16913
Completeness [%]	98.2	95.7
Redundancy	3.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	277	17% PEG 3350, 0.15 M KF, 0.1 M Hepes, 25mM b-OG, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K