9NBX

Crystal structure of PAK1 bound to C2

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	93
Detector technology	PIXEL
Collection date	2014-04-04
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1
Spacegroup name	P 1 21 1
Unit cell lengths	61.818, 81.359, 65.854
Unit cell angles	90.00, 106.99, 90.00

Refinement procedure

Resolution	31.930 - 2.150
R-factor	0.2267
Rwork	0.225
R-free	0.26500
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.717
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.190
High resolution limit [Å]	2.150	5.830	2.150
Rmerge		0.040	0.508
Rmeas	0.048	0.048	0.625
Rpim		0.026	0.359
Number of reflections	33900	1554	1669
<I/σ(I)>	10.8
Completeness [%]	97.8	86.4	97.6
Redundancy	3.1	3.2	2.6
CC(1/2)	0.996	0.996	0.570

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	0.2M Lithium Sulfate, 0.1M Tris pH8.5, 30% PEG 4000