4EBP

BlaC E166A Cefotaxime Acyl-Intermediate Complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	120
Detector technology	CCD
Spacegroup name	P 1 21 1
Unit cell lengths	78.820, 96.152, 107.088
Unit cell angles	90.00, 106.34, 90.00

Refinement procedure

Resolution	45.317 - 2.290
R-factor	0.2124
Rwork	0.211
R-free	0.24050
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2gdn
RMSD bond length	0.006
RMSD bond angle	0.818
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	PHENIX ((phenix.refine: 1.7.3_928))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	2.590	2.340
High resolution limit [Å]	2.290	2.530	2.290
Rmerge	0.110
Number of reflections	67526
<I/σ(I)>	13	4.1	2
Completeness [%]	99.3	99	99.5
Redundancy	3.6	3.6	3.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.5	291	pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K