3EPN

Crystal structure of Caulobacter crescentus ThiC complexed with imidazole ribonucleotide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	CCD
Collection date	2008-03-28
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97918
Spacegroup name	P 1 21 1
Unit cell lengths	62.603, 102.738, 82.635
Unit cell angles	90.00, 102.05, 90.00

Refinement procedure

Resolution	35.240 - 2.110
R-factor	0.172
Rwork	0.168
R-free	0.24900
RMSD bond length	0.006
RMSD bond angle	0.996
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.190
High resolution limit [Å]	2.110	4.540	2.110
Rmerge	0.164	0.085	0.317
Number of reflections	52600
Completeness [%]	90.1	94	75.1
Redundancy	2.7	3.4	1.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	298	1.4 M sodium citrate, 0.1 M sodium HEPES, pH 7.5, vapor diffusion, hanging drop, temperature 298K