1WBN

fragment based p38 inhibitors

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SRS BEAMLINE PX14.1
Synchrotron site	SRS
Beamline	PX14.1
Temperature [K]	100
Detector technology	CCD
Detector	ADSC CCD
Spacegroup name	P 21 21 21
Unit cell lengths	46.141, 86.001, 125.729
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.316 - 2.400
R-factor	0.1808
Rwork	0.181
R-free	0.24380
Structure solution method	OTHER
RMSD bond length	0.005
RMSD bond angle	0.846
Data reduction software	MOSFLM
Data scaling software	SCALA
Refinement software	CNS

Data quality characteristics

	Overall
Low resolution limit [Å]	43.000
High resolution limit [Å]	2.400
Rmerge	0.080
Number of reflections	19222
<I/σ(I)>	6.7
Completeness [%]	96.2
Redundancy	3.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		7		pH 7.00