5TQL

Crystal structure of TIM-Barrel protein HisF-C9S

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	BRUKER AXS MICROSTAR
Temperature [K]	100
Detector technology	CCD
Collection date	2014-05-24
Detector	Bruker Platinum 135
Wavelength(s)	1.54
Spacegroup name	P 61
Unit cell lengths	96.505, 96.505, 154.228
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	22.920 - 1.900
R-factor	0.1901
Rwork	0.189
R-free	0.22040
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1thf
RMSD bond length	0.007
RMSD bond angle	0.794
Data reduction software	XPREP (2008/2)
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	22.920	22.920	1.930
High resolution limit [Å]	1.900	5.170	1.900
Rmerge	0.087	0.039	0.451
Total number of observations	484279
Number of reflections	64207
<I/σ(I)>	14.08
Completeness [%]	99.9	98.6	98.9
Redundancy	7.53	12.5	3.05

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	0.1 M Tris, pH 7.5, 25% PEG 3350