1FVO

CRYSTAL STRUCTURE OF HUMAN ORNITHINE TRANSCARBAMYLASE COMPLEXED WITH CARBAMOYL PHOSPHATE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X12C
Synchrotron site	NSLS
Beamline	X12C
Temperature [K]	298
Detector technology	IMAGE PLATE
Detector	MARRESEARCH
Spacegroup name	I 2 3
Unit cell lengths	203.426, 203.426, 203.426
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.990 - 2.600
R-factor	0.202
Rwork	0.202
R-free	0.23600
RMSD bond length	0.006
RMSD bond angle	23.100 *
Data reduction software	DENZO
Data scaling software	CCP4 ((TRUNCATE))
Phasing software	GLRF
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.760
High resolution limit [Å]	2.600	2.600
Rmerge	0.108	0.029
Total number of observations	300506 *
Number of reflections	42459
<I/σ(I)>	6.8
Completeness [%]	98.7	94.1
Redundancy	7.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	unknown *	6.5	291	Mes, PEG 8000, pH 6.5, EVAPORATION, temperature 291.0K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	Mes	0.1 (M)
2	1	reservoir	PEG8000	16 (%(w/v))