6OHD

P38 in complex with T-3220137

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X6A
Synchrotron site	NSLS
Beamline	X6A
Temperature [K]	100
Detector technology	CCD
Collection date	2011-06-29
Detector	ADSC QUANTUM 270
Wavelength(s)	1.127
Spacegroup name	P 21 21 21
Unit cell lengths	64.087, 73.752, 77.259
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.380 - 2.500
R-factor	0.2131
Rwork	0.211
R-free	0.25290
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.551
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.400	2.590
High resolution limit [Å]	2.500	2.500
Rmerge	0.143	0.940
Number of reflections	13137	1284
<I/σ(I)>	13.5	1.4
Completeness [%]	99.9	99.8
Redundancy	6.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	20.% PEG 3350, 0.1M MES_Na