3L04

Crystal structure of N-acetyl-L-ornithine transcarbamylase E92P mutant complexed with carbamyl phosphate and N-succinyl-L-norvaline

Replaces:  2G68

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU300
Temperature [K]	95
Detector technology	IMAGE PLATE
Collection date	2005-01-01
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.54178
Spacegroup name	I 21 3
Unit cell lengths	129.018, 129.018, 129.018
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	18.250 - 2.500
Rwork	0.179
R-free	0.23000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3kzo
RMSD bond length	0.006
RMSD bond angle	1.200
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	CNS
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.590
High resolution limit [Å]	2.500	2.500
Rmerge	0.101	0.566
Number of reflections	12549
<I/σ(I)>	24.5	4.6
Completeness [%]	100.0	100
Redundancy	10.9	10.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	291	Lithium sulfate, Bis-tris, PEG3350, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 291K