1PD5

Crystal structure of E.coli chloramphenicol acetyltransferase type I at 2.5 Angstrom resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE X11
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	X11
Temperature [K]	100
Detector technology	CCD
Collection date	2002-09-28
Detector	MARRESEARCH
Wavelength(s)	0.81
Spacegroup name	P 1 21 1
Unit cell lengths	115.739, 129.702, 117.984
Unit cell angles	90.00, 108.38, 90.00

Refinement procedure

Resolution	10.000 - 2.500
R-factor	0.19912
Rwork	0.195
R-free	0.28139
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3cla
RMSD bond length	0.041
RMSD bond angle	2.947
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	REFMAC (5.1.24)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	10.000	2.590
High resolution limit [Å]	2.500	2.500
Rmerge	0.065	0.291
Number of reflections	114277
Completeness [%]	99.6	99.2
Redundancy	3.28

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.8	290	methanol,calcium chloride,MES, pH 5.8, VAPOR DIFFUSION, HANGING DROP, temperature 290.0K