4LGH

Crystal structure of 1NM-PP1 bound to analog-sensitive Src kinase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.1
Synchrotron site	ALS
Beamline	8.2.1
Temperature [K]	298
Detector technology	CCD
Collection date	2007-07-19
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0000
Spacegroup name	P 1
Unit cell lengths	42.264, 62.654, 74.325
Unit cell angles	100.38, 91.01, 90.07

Refinement procedure

Resolution	32.930 - 2.840
R-factor	0.216
Rwork	0.213
R-free	0.27200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1yoj
RMSD bond length	0.004
RMSD bond angle	0.798
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER (1.3.3)
Refinement software	PHENIX (1.7.3_928)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	35.000	35.000	2.950
High resolution limit [Å]	2.840	6.130	2.840
Rmerge	0.149	0.133	0.291
Number of reflections	16756
<I/σ(I)>	9.4
Completeness [%]	95.5	99.8	80.2
Redundancy	3.4	3.9	2.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	298	100 mM MES, 50 mM NaAc, 12% glycerol, 6% PEG 4000, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K