3R7L

Crystal Structure of PALA-bound Aspartate Transcarbamoylase from Bacillus subtilis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X29A
Synchrotron site	NSLS
Beamline	X29A
Spacegroup name	C 1 2 1
Unit cell lengths	189.649, 141.432, 114.829
Unit cell angles	90.00, 109.96, 90.00

Refinement procedure

Resolution	47.275 - 2.585
R-factor	0.1801
Rwork	0.178
R-free	0.21480
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.737
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	PHENIX (1.7_650)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.690
High resolution limit [Å]	2.585	5.600	2.585
Rmerge	0.126	0.056	0.608
Number of reflections	88161
<I/σ(I)>	6
Completeness [%]	100.0	100	100
Redundancy	7.2	7.7	6.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1