3L05

Crystal structure of N-acetyl-L-ornithine transcarbamylase E92S mutant complexed with carbamyl phosphate and N-succinyl-L-norvaline

Replaces:  2G6A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU300
Temperature [K]	95
Detector technology	IMAGE PLATE
Collection date	2005-12-27
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.54178
Spacegroup name	I 21 3
Unit cell lengths	128.974, 128.974, 128.974
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.400 - 2.800
Rwork	0.184
R-free	0.26500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3kzo
RMSD bond length	0.006
RMSD bond angle	1.200
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.900
High resolution limit [Å]	2.800	2.800
Rmerge	0.153	0.787
Number of reflections	8953
<I/σ(I)>	15.8	3.3
Completeness [%]	99.8	100
Redundancy	10.1	9.7

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