3DVQ

Proteinase K by LB nanotemplate method before high X-Ray dose on ESRF ID14-2 beamline

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-2
Synchrotron site	ESRF
Beamline	ID14-2
Temperature [K]	110
Detector technology	CCD
Collection date	2007-06-14
Detector	ADSC QUANTUM 4
Wavelength(s)	0.933
Spacegroup name	P 43 21 2
Unit cell lengths	67.937, 67.937, 102.149
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.060 - 1.020
R-factor	0.213
Rwork	0.212
R-free	0.22300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ptk
RMSD bond length	0.004
RMSD bond angle	1.064
Data reduction software	MOSFLM
Data scaling software	SCALA (3.2.25)
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	56.568	1.080
High resolution limit [Å]	1.020	1.020
Rmerge	0.048	0.194
Total number of observations		8241
Number of reflections	99486
<I/σ(I)>	9	3.9
Completeness [%]	83.0	30.2
Redundancy	5.6	1.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	20mg/ml of protein in 25mM HEPES pH7.0, reservoir solution composed by 25mM HEPES and 400mM Na/K tartrate at pH7.0. Onto the siliconized glass cover slides were mixed 4 microlitres of protein solution with 4 microlitres of reservoir solution., VAPOR DIFFUSION, HANGING DROP, temperature 293K