9ENV

Apo GES-1 beta-Lactamase Crystallised with Citric Acid

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	2024-03-03
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.7838
Spacegroup name	P 21 21 21
Unit cell lengths	75.564, 80.814, 104.543
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.890 - 1.600
R-factor	0.1798
Rwork	0.179
R-free	0.20910
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.064
Data reduction software	DIALS
Data scaling software	xia2
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.910	1.630
High resolution limit [Å]	1.600	1.600
Rpim	0.064	1.083
Number of reflections	85097	4160
<I/σ(I)>	6.9	0.4
Completeness [%]	100.0
Redundancy	14
CC(1/2)	0.997	0.324

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.8	292.15	0.02 M citric acid, 0.08 M Bis-Tris propane, 10 % PEG 3350