6YR1

TetR(D) soaked with Tigecycline I4(1)22

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007
Temperature [K]	100
Detector technology	CCD
Collection date	2009-10-21
Detector	RIGAKU SATURN 70
Wavelength(s)	1.5418
Spacegroup name	I 41 2 2
Unit cell lengths	68.459, 68.459, 180.440
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.200 - 2.300
Rwork	0.233
R-free	0.27920
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2xpv
RMSD bond length	0.008
RMSD bond angle	1.765
Data reduction software	CrystalClear
Data scaling software	CrystalClear
Phasing software	PHASER
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	31.000	2.380
High resolution limit [Å]	2.300	2.300
Rmerge	0.081	0.498
Number of reflections	9565	863
<I/σ(I)>	11	1.8
Completeness [%]	96.0	88.6
Redundancy	5.83	3.56

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	291	Native crystal soaked in 1M (NH4)2SO4, 0.2M NaCl, 0.05M Tris/HCl, pH 7.0, 0.0142 mM Tigecycline, 2mM MgCl2, 22days