2P2G

Crystal Structure of Ornithine Carbamoyltransferase from Mycobacterium Tuberculosis (Rv1656): Orthorhombic Form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-1
Synchrotron site	SSRL
Beamline	BL9-1
Temperature [K]	100
Detector technology	CCD
Collection date	2006-11-26
Detector	ADSC QUANTUM 315
Wavelength(s)	0.979462
Spacegroup name	P 21 21 21
Unit cell lengths	79.166, 144.646, 187.769
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.180 - 2.700
R-factor	0.20468
Rwork	0.202
R-free	0.25903
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB ID 1FB5
RMSD bond length	0.011
RMSD bond angle	1.401
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	2.800
High resolution limit [Å]	2.700	2.700
Rmerge	0.163	0.675
Number of reflections	58329
<I/σ(I)>	7.9	1.9
Completeness [%]	97.3	90.8
Redundancy	3.9	3.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	273	0.1M Magnesium sulfate, 0.1M HEPES pH 7.5, 10% PEG 8000, 3% ETHANOL, Protein concentration 40mg/ml, VAPOR DIFFUSION, HANGING DROP, temperature 273K