6HTM

X-ray structure of the tryptophan lyase NosL in complex with bound tryptamin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID30B
Synchrotron site	ESRF
Beamline	ID30B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-10-22
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97625
Spacegroup name	P 1 2 1
Unit cell lengths	94.530, 47.140, 113.900
Unit cell angles	90.00, 108.90, 90.00

Refinement procedure

Resolution	47.048 - 1.700
R-factor	0.1638
Rwork	0.162
R-free	0.18870
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4r34
RMSD bond length	0.019
RMSD bond angle	1.468
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	PHENIX ((1.13_2998: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.048	1.740
High resolution limit [Å]	1.700	1.700
Number of reflections	199118
<I/σ(I)>	13.09
Completeness [%]	99.5
Redundancy	4.01

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	14-20% PEG 3350, 0.2 M KBr, 1 mM 5'- deoxyadenosine, 1 mM L-methionine, 15 mg/mL SaNosL (protein buffer: 50 mM Tris pH 8; 150 mM NaCl and 2 mM DTT), 10 mM tryptamine