4NY5

X-ray structure of the adduct formed between hen egg white lysozyme and NAMI-A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	CCD
Collection date	2013-09-10
Detector	RIGAKU SATURN 944+
Wavelength(s)	1.5418
Spacegroup name	P 43 21 2
Unit cell lengths	77.772, 77.772, 37.316
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	22.150 - 1.850
R-factor	0.17933
Rwork	0.176
R-free	0.23994
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	4j1a
RMSD bond length	0.018
RMSD bond angle	1.768
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	CNS
Refinement software	REFMAC (5.7.0032)

Data quality characteristics

	Overall
Low resolution limit [Å]	22.150
High resolution limit [Å]	1.850
Rmerge	0.095
Number of reflections	10143
<I/σ(I)>	5.3
Completeness [%]	98.9
Redundancy	5.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.5	293	Crystals of the HEWL/NAMI-A adduct suitable for X-ray diffraction studies Have been grown by hanging drop vapor diffusion by mixing 1 L of 20 mg/mL HEWL/NAMI-A complex (protein to metal ratio 1:10) with an equal volume of reservoir solution containing 1.0 M NaCl and 50 mM sodium acetate pH 4.5. These crystals were fished with nylon loops and flash-frozen at 100 K using nitrogen gas, without cryoprotectant. This procedure partly dehydrates the crystals, enhancing in some cases the resolution of X-ray diffraction data, VAPOR DIFFUSION, HANGING DROP, temperature 293K