6UNA

Crystal structure of inactive p38gamma

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	CCD
Collection date	2013-10-20
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.03316
Spacegroup name	P 1
Unit cell lengths	47.032, 66.359, 68.568
Unit cell angles	115.27, 102.49, 96.83

Refinement procedure

Resolution	44.585 - 2.554
R-factor	0.1978
Rwork	0.195
R-free	0.24550
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1cm8
RMSD bond length	0.003
RMSD bond angle	0.584
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.12_2829)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.585	2.620
High resolution limit [Å]	2.550	2.550
Rmeas	0.110	0.530
Rpim	0.075	0.370
Number of reflections	22388	1051
<I/σ(I)>	10.3	2.2
Completeness [%]	98.1
Redundancy	1.9
CC(1/2)	0.910	0.680

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7.7	298	2.4M Ammonium sulfate, 50mM TRIS pH 7.7.