5UMQ

Crystal structure of TnmS1, an antibiotic binding protein from Streptomyces sp. CB03234

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	80
Detector technology	CCD
Collection date	2015-11-07
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97934
Spacegroup name	P 21 21 21
Unit cell lengths	36.569, 66.124, 103.354
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 1.950
R-factor	0.19843
Rwork	0.195
R-free	0.25621
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4hc5
RMSD bond length	0.010
RMSD bond angle	1.449
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	MOLREP (5.8.0155)
Refinement software	REFMAC (5.8.0155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.980
High resolution limit [Å]	1.950	1.950
Rmerge	0.071	0.761
Rmeas	0.074	0.802
Rpim	0.020	0.242
Number of reflections	18652	890
<I/σ(I)>	33	2.4
Completeness [%]	98.4	97.2
Redundancy	13.1	9.6
CC(1/2)	0.999	0.880

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	298	50 mM ammonium sulphate, 50 mM bis-tris propane, and 30 % v/v pentaerythriol ethoxylate (15/4 EO/OH)