4HV1

Laser-induced microfragmentation of lysozyme crystals allows X-ray nanodiffraction characterization of individual domains (lb4)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID13
Synchrotron site	ESRF
Beamline	ID13
Temperature [K]	100
Detector technology	CCD
Collection date	2007-12-01
Detector	MAR CCD 165 mm
Wavelength(s)	0.9
Spacegroup name	P 43 21 2
Unit cell lengths	78.835, 78.835, 37.095
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	55.740 - 2.300
R-factor	0.1969
Rwork	0.193
R-free	0.27780
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.015
RMSD bond angle	1.532
Data scaling software	SCALA (3.3.16)
Phasing software	MOLREP
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	55.745	39.417	1.600
High resolution limit [Å]	1.519	4.800	1.519
Rmerge		0.020	0.020
Total number of observations		8401	14978
Number of reflections	5552
<I/σ(I)>	5.2	6.1	0.3
Completeness [%]	97.8	99.9	84.9
Redundancy	13.1	12.2	6.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.5	298	LB-nanofilms were generated by the Langmuir Blodgett (LB) technique and its variation, a modified Langmuir Schaeffer technique (LS). 40 mg/ml, 50 mM, sodium acetate pH 4.5, 0.9 NaCl 1:1 in 50 mM sodium acetate , VAPOR DIFFUSION, HANGING DROP, temperature 298K