7MT6

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2011-12-31
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5419
Spacegroup name	C 1 2 1
Unit cell lengths	183.960, 60.960, 67.410
Unit cell angles	90.00, 94.58, 90.00

Refinement procedure

Resolution	39.230 - 1.700
Rwork	0.160
R-free	0.19260
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1tjp
RMSD bond length	0.007
RMSD bond angle	1.138
Data reduction software	MOSFLM
Data scaling software	SCALA
Refinement software	PHENIX (1.9-1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.230	1.790
High resolution limit [Å]	1.700	1.700
Number of reflections	89264	11881
<I/σ(I)>	13.5
Completeness [%]	98.5
Redundancy	3.6
CC(1/2)	0.998	0.975

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