4FYW

E. coli Aspartate Transcarbamoylase complexed with CTP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2012-01-25
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.542
Spacegroup name	P 3 2 1
Unit cell lengths	121.297, 121.297, 142.251
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	43.218 - 2.100
R-factor	0.186
Rwork	0.184
R-free	0.22910
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1za1
RMSD bond length	0.008
RMSD bond angle	1.128
Data reduction software	d*TREK (9.9.8.8D)
Data scaling software	d*TREK (9.9.8.8D)
Phasing software	PHENIX
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	43.220	43.220	2.180
High resolution limit [Å]	2.100	4.520	2.100
Rmerge	0.057	0.037	0.450
Total number of observations		39483	36859
Number of reflections	70735
<I/σ(I)>	10.7	26.9	2.6
Completeness [%]	100.0	99.4	100
Redundancy	5.35	5.33	5.28

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICRODIALYSIS	5.7	298	40 mM sodium citrate, 1 mM 2-mercaptoethanol, 0.2 mM EDTA, 1.0 mM CTP, pH 5.7, MICRODIALYSIS, temperature 298K