4NMY

Crystal Structure of the Thiamin-bound form of Substrate-binding Protein of ABC Transporter from Clostridium difficile

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	2013-11-09
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97927
Spacegroup name	P 21 21 21
Unit cell lengths	49.529, 76.867, 154.901
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.433 - 1.896
R-factor	0.166
Rwork	0.164
R-free	0.20300
Structure solution method	SAD
RMSD bond length	0.008
RMSD bond angle	1.097
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	HKL-3000
Refinement software	PHENIX ((phenix.refine: 1.8.1_1161))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.930
High resolution limit [Å]	1.900	1.900
Number of reflections	47478
<I/σ(I)>	8.5	2.5
Completeness [%]	99.7	98.4
Redundancy	4.3	3.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	289	1.2 M ammonium sulfate, 0.1 M sodium succinate pH7.5, 0.96 % LDAO, VAPOR DIFFUSION, SITTING DROP, temperature 289K