1T36

Crystal structure of E. coli carbamoyl phosphate synthetase small subunit mutant C248D complexed with uridine 5'-monophosphate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Collection date	1998-11-11
Detector	CUSTOM-MADE
Wavelength(s)	0.65
Spacegroup name	P 21 21 21
Unit cell lengths	152.500, 164.900, 333.100
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 2.100
R-factor	0.179
Rwork	0.176
R-free	0.20900
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	1jdb
RMSD bond length	0.012
RMSD bond angle	2.430
Data reduction software	d*TREK
Data scaling software	d*TREK
Phasing software	TNT
Refinement software	TNT

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.180
High resolution limit [Å]	2.100	2.100
Number of reflections	433843
<I/σ(I)>	15.2	3.3
Completeness [%]	90.0	83
Redundancy	2.7	2.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	batch	7.4	277	PEG 8000, tetramethylammonium chloride, potassium chloride, manganese chloride, ornithine, ADP, HEPES, pH 7.4, batch, temperature 277K