6N33

Crystal structure of fms kinase domain with a small molecular inhibitor, PLX5622

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.3.1
Synchrotron site	ALS
Beamline	8.3.1
Temperature [K]	100
Detector technology	CCD
Collection date	2008-12-21
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.11587
Spacegroup name	P 43 21 2
Unit cell lengths	62.620, 62.620, 182.369
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	59.226 - 2.250
R-factor	0.1826
Rwork	0.181
R-free	0.21970
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4hw7
RMSD bond length	0.009
RMSD bond angle	0.955
Data reduction software	MOSFLM
Data scaling software	ELVES
Phasing software	MOLREP
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	59.300	2.370
High resolution limit [Å]	2.250	2.250
Number of reflections	18091
<I/σ(I)>	6.9
Completeness [%]	99.9
Redundancy	8.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	20% PEG8K, 0.2M MGCL2 AND 0.1M TRIS, PH 7.5