4J1A

X-ray structure of the adduct between hen egg white lysozyme and AziRu (green crystal)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Detector technology	CCD
Detector	RIGAKU SATURN 944
Wavelength(s)	1.5418
Spacegroup name	P 43 21 2
Unit cell lengths	78.189, 78.189, 37.157
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.840 - 1.790
R-factor	0.182
Rwork	0.182
R-free	0.23700
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.023
RMSD bond angle	2.200
Refinement software	CNS (1.3)

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	1.790
Rmerge	0.077
Number of reflections	11171
Completeness [%]	98.2
Redundancy	7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.5	298	1.0-1.4 M NaCl, 0.050 M acetate. Crystals soaked in a saturated solution of AziRu containing 2.4 M NaCl in the same buffer. After a few hours, crystals changed their colour to yellow and then green. In a few days they turned to black., pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K