6DMH

A multiconformer ligand model of acylenzyme intermediate of meropenem bound to an SFC-1 E166A mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	CCD
Collection date	2009-07-21
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97630
Spacegroup name	P 21 21 21
Unit cell lengths	59.185, 61.955, 79.127
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.345 - 1.300
R-factor	0.1167
Rwork	0.116
R-free	0.14260
RMSD bond length	0.010
RMSD bond angle	1.370
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.350
High resolution limit [Å]	1.300	1.300
Number of reflections	68435
<I/σ(I)>	29.7
Completeness [%]	94.7
Redundancy	11.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	Na acetate, PEG 3350, pH 7, VAPOR DIFFUSION, HANGING DROP, temperature 293K