2X0A

MPD-Lysozyme structure at 55.5 keV using a TRIXXEL CsI-aSi based digital imager and the new ESRF U22 undulator source at ID15

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID15B
Synchrotron site	ESRF
Beamline	ID15B
Temperature [K]	100
Detector technology	FLAT PANEL
Collection date	2008-07-19
Detector	TRIXXEL
Wavelength(s)	0.22
Spacegroup name	P 43 21 2
Unit cell lengths	77.207, 77.207, 37.767
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.300 - 1.520
R-factor	0.14874
Rwork	0.146
R-free	0.19902
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2cgi
RMSD bond length	0.012
RMSD bond angle	1.336
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	REFMAC (5.5.0072)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.540
High resolution limit [Å]	1.520	1.520
Rmerge	0.060	0.240
Number of reflections	17977
<I/σ(I)>	19.6	3.4
Completeness [%]	99.2	89.1
Redundancy	6.6	3.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	295	HANGING DROP METHOD AT 295K. DROP IS 1 MICROL OF 50 MG/ML PROTEIN AND 1 MICROL OF WELL SOLUTION. WELL VOLUME IS 1ML OF 70 % MPD FROM HAMPTON RESEARCH.
1	VAPOR DIFFUSION, HANGING DROP	7	295	HANGING DROP METHOD AT 295K. DROP IS 1 MICROL OF 50 MG/ML PROTEIN AND 1 MICROL OF WELL SOLUTION. WELL VOLUME IS 1ML OF 70 % MPD FROM HAMPTON RESEARCH.