1N4F

Para-Arsanilate Derivative of Hen Egg-White Lysozyme

Experimental procedure

Experimental method	SAD
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM30A
Synchrotron site	ESRF
Beamline	BM30A
Temperature [K]	100
Detector technology	CCD
Collection date	2002-04-19
Detector	MARRESEARCH
Wavelength(s)	1.0438
Spacegroup name	P 43 21 2
Unit cell lengths	76.764, 76.764, 38.252
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	16.000 * - 1.780
Rwork	0.164
R-free	0.21300
Structure solution method	SAD
RMSD bond length	0.009
RMSD bond angle	23.200 *
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	SHARP
Refinement software	BUSTER-TNT

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	15.700 *	1.870
High resolution limit [Å]	1.780	1.780
Rmerge	0.054 *	0.165 *
Number of reflections	11323 *
<I/σ(I)>	8.5	3.3
Completeness [%]	99.4	97.6
Redundancy	13.7	8.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5 *	291	250 mM sodium para-arsanilate then transferred to equivalent solution plus 15% V/V ethyleneglycol, pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 291K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	100 (mg/ml)
2	1	drop	cacodylate	100 (mM)	pH6.5
3	1	reservoir	sodium para-arsanilate	250 (mM)