4F2G

The Crystal Structure of Ornithine carbamoyltransferase from Burkholderia thailandensis E264

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E+ SUPERBRIGHT
Temperature [K]	100
Detector technology	CCD
Collection date	2012-04-06
Detector	RIGAKU SATURN 944+
Wavelength(s)	1.54178
Spacegroup name	P 41 3 2
Unit cell lengths	141.250, 141.250, 141.250
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.775 - 2.100
R-factor	0.1697
Rwork	0.168
R-free	0.19650
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1pvv
RMSD bond length	0.006
RMSD bond angle	0.950
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.7.3_928)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	40.775	40.775	2.150
High resolution limit [Å]	2.100	9.390	2.100
Rmerge	0.078	0.022	0.496
Number of reflections	28707	392	2086
<I/σ(I)>	26.41	90.43	4.02
Completeness [%]	99.8	94.5	100
Redundancy	10.96

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.6	289	JCSG3 well F12 0.1M Na Citrate pH5.6, 1M Ammonium dihydrogen Phosphate with 15% EG added to well solution, VAPOR DIFFUSION, SITTING DROP, temperature 289K