1IAN

HUMAN P38 MAP KINASE INHIBITOR COMPLEX

Experimental procedure

Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X4A
Synchrotron site	NSLS
Beamline	X4A
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1996-08-31
Detector	FUJI
Spacegroup name	P 21 21 21
Unit cell lengths	65.100, 74.300, 77.900
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	6.000 - 2.000
R-factor	0.234
Rwork	0.234
R-free	0.30100
Structure solution method	SE-MET MAD AND MR
Starting model (for MR)	ERK2
RMSD bond length	0.009
RMSD bond angle	24.100 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MADSYS
Refinement software	X-PLOR (3.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.100
High resolution limit [Å]	2.000	2.000
Rmerge	0.046	0.157
Total number of observations	179632 *
Number of reflections	25453
<I/σ(I)>	23	7
Completeness [%]	99.0	95
Redundancy	7	5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	7.4	21-25 *	Pav, S., (1997) Protein Sci., 6, 242. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	enzyme	6.0 (mg/ml)
2	1	drop	inhibitor	1.4 (mM)
3	1	reservoir	PEG1500	28-32 (%(w/v))
4	1	reservoir	dithiothreitol	5 (mM)