7MT5

Crystal structure of tryptophan synthase in complex with F9, Cs+, pH7.8 - alpha aminoacrylate form - E(A-A)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 12.3.1
Synchrotron site	ALS
Beamline	12.3.1
Temperature [K]	100
Detector technology	CCD
Collection date	2020-12-01
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.00
Spacegroup name	C 1 2 1
Unit cell lengths	184.189, 59.730, 67.540
Unit cell angles	90.00, 94.63, 90.00

Refinement procedure

Resolution	28.250 - 1.500
Rwork	0.179
R-free	0.20850
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1tjp
RMSD bond length	0.007
RMSD bond angle	1.141
Data reduction software	MOSFLM
Data scaling software	SCALA
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	28.250	1.580
High resolution limit [Å]	1.500	1.500
Number of reflections	179373	19132
<I/σ(I)>	20.9
Completeness [%]	92.5
Redundancy	2.9
CC(1/2)	0.995	0.971

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		293	50 mM Bicine-CsOH pH 7.8, 10% PEG 8000, 2 mM spermine