6CGQ

Threonine synthase from Bacillus subtilis ATCC 6633 with PLP and PLP-Ala

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	80
Detector technology	CCD
Collection date	2016-07-21
Detector	RAYONIX MX-300
Wavelength(s)	0.978720
Spacegroup name	C 2 2 21
Unit cell lengths	49.787, 127.933, 237.074
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.719 - 2.019
R-factor	0.183
Rwork	0.180
R-free	0.23360
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2zsj
RMSD bond length	0.007
RMSD bond angle	0.873
Data reduction software	autoPROC
Data scaling software	autoPROC
Phasing software	PHASER
Refinement software	PHENIX ((1.13_2998: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	118.500	2.026
High resolution limit [Å]	2.019	2.019
Number of reflections	50330	490
<I/σ(I)>	14.6	2.2
Completeness [%]	100.0	97.6
Redundancy	8.2	8.4
CC(1/2)		0.788

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	282.15	0.2 M sodium L-glutamate, 0.2 M DL-alanine, 0.2 M glycine, 0.2 M DL-lysine HCl, 0.2 M DL-serine, 10% w/v PEG 20 000, 20% v/v PEG MME 550, 0.1 M MES/imidazole, pH 6.5