3UEJ

Structural and functional characterization of an anesthetic binding site in the second cysteine-rich domain of protein kinase Cdelta

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X6A
Synchrotron site	NSLS
Beamline	X6A
Temperature [K]	100
Detector technology	CCD
Collection date	2004-04-27
Detector	ADSC QUANTUM 210
Wavelength(s)	1.0
Spacegroup name	P 1 21 1
Unit cell lengths	43.598, 32.475, 49.965
Unit cell angles	90.00, 94.10, 90.00

Refinement procedure

Resolution	9.983 - 1.301
R-factor	0.1433
Rwork	0.142
R-free	0.15820
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ptq
RMSD bond length	0.007
RMSD bond angle	1.217
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.7_650))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	50.000	1.420
High resolution limit [Å]	1.300	2.590	1.350
Rmerge	0.100
Number of reflections	34350
<I/σ(I)>	15.34
Completeness [%]	95.9
Redundancy	4.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.2	293	20% PEG 3350 in 0.2 M ammonium sulfate and 25 mM HEPES pH 7.2. , VAPOR DIFFUSION, HANGING DROP, temperature 293K
1	VAPOR DIFFUSION, HANGING DROP	7.2	293	20% PEG 3350 in 0.2 M ammonium sulfate and 25 mM HEPES pH 7.2. , VAPOR DIFFUSION, HANGING DROP, temperature 293K