7A63

Crystal structure of L1 with hydrolyzed faropenem (imine, ring-closed form)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-08-04
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.97951
Spacegroup name	P 64 2 2
Unit cell lengths	105.300, 105.300, 98.099
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	52.650 - 1.570
R-factor	0.170409688506
Rwork	0.169
R-free	0.19282
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1sml
RMSD bond length	0.009
RMSD bond angle	1.071
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.12_2829)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	52.650	1.600
High resolution limit [Å]	1.570	1.570
Rpim	0.012	0.552
Number of reflections	45278	2194
<I/σ(I)>	32.3
Completeness [%]	100.0	99.9
Redundancy	72.9
CC(1/2)	0.911	0.846

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	100 mM Hepes pH 7.75, 2.0 M ammonium sulphate, 1.5% PEG400. 2 ul protein (15 mg/ml) mixed with 2 ul reservoir.