9ENW

Apo GES-1 beta-Lactamase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-01-12
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.81530
Spacegroup name	P 1 21 1
Unit cell lengths	42.630, 80.610, 71.070
Unit cell angles	90.00, 101.40, 90.00

Refinement procedure

Resolution	41.790 - 1.660
R-factor	0.2046
Rwork	0.202
R-free	0.25110
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.050
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	52.710	1.690
High resolution limit [Å]	1.660	1.660
Rpim	0.085	1.151
Number of reflections	55622	2769
<I/σ(I)>	5.4	0.7
Completeness [%]	100.0
Redundancy	6.8
CC(1/2)	0.995	0.249

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.6	292.15	20mM HEPES pH 7.6 10% PEG8000, 10% PEG1000