5W19

Tryptophan indole-lyase complex with oxindolyl-L-alanine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2015-06-23
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.000
Spacegroup name	P 2 21 21
Unit cell lengths	62.117, 152.081, 211.363
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.106 - 2.100
R-factor	0.218
Rwork	0.217
R-free	0.24400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ax4
RMSD bond length	0.002
RMSD bond angle	0.495
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.12_2829)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.092	2.174
High resolution limit [Å]	2.099	2.099
Rmerge	0.214	6.921
Rmeas	0.222
Rpim	0.058	1.851
Number of reflections	117489	11609
<I/σ(I)>	9.84	0.43
Completeness [%]	98.8	88.98
Redundancy	14.8	14.9
CC(1/2)	0.999	0.272

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	35 mM potassium phosphate, 0.05 M HEPES, 0.3 M KCl, 11% PEG 4000