1WBO

fragment based p38 inhibitors

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-2
Synchrotron site	ESRF
Beamline	ID14-2
Temperature [K]	100
Spacegroup name	P 21 21 21
Unit cell lengths	45.746, 84.716, 126.759
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.750 - 2.160
R-factor	0.16731
Rwork	0.167
R-free	0.21956
Structure solution method	OTHER
RMSD bond length	0.016
RMSD bond angle	1.510
Data reduction software	MOSFLM
Data scaling software	SCALA
Refinement software	CNS

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	2.100
Rmerge	0.070
Number of reflections	27360
<I/σ(I)>	5.8
Completeness [%]	99.0
Redundancy	3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		7		pH 7.00