3DE1

Proteinase K by LB nanotemplate method after the third step of high X-Ray dose on ESRF ID23-1 beamline

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	CCD
Collection date	2007-02-07
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97625
Spacegroup name	P 43 21 2
Unit cell lengths	67.669, 67.669, 101.625
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.840 - 2.000
R-factor	0.182
Rwork	0.181
R-free	0.20600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3de0
RMSD bond length	0.013
RMSD bond angle	1.380
Data reduction software	MOSFLM
Data scaling software	SCALA (3.2.25)
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	56.344	2.110
High resolution limit [Å]	2.000	2.000
Rmerge	0.128	0.258
Total number of observations		11004
Number of reflections	14864
<I/σ(I)>	4.6	2.1
Completeness [%]	90.4	90.7
Redundancy	5.1	5.2

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 microL of protein solution with 4 microL of reservoir solution., VAPOR DIFFUSION, HANGING DROP, temperature 293K