5Y0Q

Crystal structure of BsTmcAL bound with AMPCPP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-17A
Synchrotron site	Photon Factory
Beamline	BL-17A
Temperature [K]	95
Detector technology	PIXEL
Collection date	2014-12-25
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.98
Spacegroup name	P 21 21 21
Unit cell lengths	67.995, 68.013, 211.672
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.967 - 2.100
R-factor	0.2046
Rwork	0.202
R-free	0.24280
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5y0n
RMSD bond length	0.007
RMSD bond angle	1.186
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.8.4_1496)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.140
High resolution limit [Å]	2.100	5.690	2.100
Rmerge	0.051	0.020	1.813
Rpim	0.015	0.006	0.521
Number of reflections	58350	3147	2888
<I/σ(I)>	28.48	96.7	1.6
Completeness [%]	100.0	100	99.14
Redundancy	13.16	11.98	12.89

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	Tris-HCl, PEG400, KCl, MgCl2