4CVQ

CRYSTAL STRUCTURE OF AN AMINOTRANSFERASE FROM ESCHERICHIA COLI AT 2. 11 ANGSTROEM RESOLUTION

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Spacegroup name	C 2 2 21
Unit cell lengths	59.780, 152.130, 174.240
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.162 - 2.110
R-factor	0.2059
Rwork	0.204
R-free	0.24660
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1xi9
RMSD bond length	0.005
RMSD bond angle	0.830
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	AMoRE
Refinement software	PHENIX ((PHENIX.REFINE))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.880	2.220
High resolution limit [Å]	2.110	2.110
Rmerge	0.080	0.670
Number of reflections	46169
<I/σ(I)>	14.1	3
Completeness [%]	99.9	100
Redundancy	8	7.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1