5KC4

Structure of TmRibU, orthorhombic crystal form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X25
Synchrotron site	NSLS
Beamline	X25
Temperature [K]	100
Detector technology	CCD
Collection date	2011-11-17
Detector	ADSC QUANTUM 4
Wavelength(s)	1.008
Spacegroup name	P 21 21 21
Unit cell lengths	65.769, 80.784, 118.028
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.916 - 3.400
R-factor	0.2501
Rwork	0.249
R-free	0.26960
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5kc0
RMSD bond length	0.004
RMSD bond angle	0.752
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.916	3.480
High resolution limit [Å]	3.400	3.400
Number of reflections	8513
<I/σ(I)>	24.6
Completeness [%]	94.5
Redundancy	14.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	289	100 mM Tris, pH 8.5, 30% PEG400, 100 mM NaCl, 0.5% NG, and 1% hexanediol