2BPU

The Kedge Holmium Derivative of Hen Egg-White Lysozyme at high resolution from Single Wavelength Anomalous Diffraction

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X17B1
Synchrotron site	NSLS
Beamline	X17B1
Temperature [K]	105
Detector technology	CCD
Collection date	2005-04-09
Detector	MARRESEARCH
Spacegroup name	P 43 21 2
Unit cell lengths	78.707, 78.707, 37.325
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.830 - 1.350
R-factor	0.184
Rwork	0.183
R-free	0.20700
Structure solution method	SAD
RMSD bond length	0.011
RMSD bond angle	1.275
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SHELX
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.400
High resolution limit [Å]	1.350	1.350
Rmerge	0.070
Number of reflections	49334
<I/σ(I)>	24.9	2.2
Completeness [%]	99.2	92.4
Redundancy	6.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		4.5		pH 4.50