3DNZ

Thermolysin 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	2007-05-15
Detector	ADSC QUANTUM 4
Wavelength(s)	0.93
Spacegroup name	P 61 2 2
Unit cell lengths	92.535, 92.535, 128.628
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	68.040 - 1.200
R-factor	0.241
Rwork	0.240
R-free	0.26700
RMSD bond length	0.010
RMSD bond angle	1.173
Data reduction software	MOSFLM
Data scaling software	SCALA (3.2.25)
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	80.137	38.260	1.250
High resolution limit [Å]	1.198	3.740	1.180
Rmerge	0.225
Total number of observations		21695	6073
Number of reflections	89255
<I/σ(I)>	3.1	10.3	0.1
Completeness [%]	84.0	99.6	30.7
Redundancy	5.4	5.9	1.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	293	DMSO, Ammonium sulfate, MES, hanging drop, 293K, pH6.0, VAPOR DIFFUSION, HANGING DROP