2G7M

Crystal structure of B. fragilis N-succinylornithine transcarbamylase P90E mutant complexed with carbamoyl phosphate and N-acetylnorvaline

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU300
Temperature [K]	277
Detector technology	IMAGE PLATE
Collection date	2006-02-14
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.54178
Spacegroup name	P 43
Unit cell lengths	156.654, 156.654, 120.201
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.780 - 2.900
R-factor	0.218
Rwork	0.218
R-free	0.23600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2fg7
RMSD bond length	0.007
RMSD bond angle	1.400
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	3.000
High resolution limit [Å]	2.900	2.900
Rmerge	0.143	0.832
Number of reflections	64177
<I/σ(I)>	9.8	1.8
Completeness [%]	99.6	99.3
Redundancy	5.5	5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION	5.5	291	1.5M ammonium sulfate, 100mM Bis-tris, pH 5.5, EVAPORATION, temperature 291K