5KIN

Crystal structure of tryptophan synthase alpha beta complex from Streptococcus pneumoniae

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2015-02-16
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9793373
Spacegroup name	P 1 21 1
Unit cell lengths	67.697, 71.160, 138.682
Unit cell angles	90.00, 101.69, 90.00

Refinement procedure

Resolution	49.126 - 2.450
R-factor	0.1828
Rwork	0.180
R-free	0.22750
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4neg
RMSD bond length	0.002
RMSD bond angle	0.508
Data reduction software	HKL-3000
Data scaling software	SCALEPACK
Phasing software	PHENIX
Refinement software	PHENIX (dev_2386)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.490
High resolution limit [Å]	2.450	6.650	2.450
Rmerge	0.141	0.057	0.740
Rmeas	0.166	0.068	0.880
Rpim	0.088	0.037	0.472
Total number of observations	174816
Number of reflections	48447
<I/σ(I)>	7.4
Completeness [%]	99.7	97.8	99.8
Redundancy	3.6	3.3	3.3
CC(1/2)		0.991	0.683

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	297	0.2 M Ammonium Acetate, 0.1 M Tris-Cl, 25% PEG3350