3LFT

The Crystal Structure of the ABC domain in complex with L-Trp from Streptococcus pneumonia to 1.35A

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	2009-08-17
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9794
Spacegroup name	P 21 21 21
Unit cell lengths	54.619, 68.630, 137.410
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.290 - 1.350
R-factor	0.183
Rwork	0.182
R-free	0.20300
RMSD bond length	0.009
RMSD bond angle	1.335
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	HKL-3000
Refinement software	REFMAC (refmac_5.5.0102)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.400
High resolution limit [Å]	1.350	2.910	1.350
Rmerge	0.095	0.070	0.767
Number of reflections	113883
<I/σ(I)>	8.2
Completeness [%]	99.9	99.2	100
Redundancy	5.4	5.3	5.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	277	30% PEG 4000, 0.1M Tris pH 8.5, 0.2M Magnesium chloride, VAPOR DIFFUSION, SITTING DROP, temperature 277K