9SV1

Acylphosphatase from E. coli

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALBA BEAMLINE XALOC
Synchrotron site	ALBA
Beamline	XALOC
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-06-01
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97926
Spacegroup name	P 21 21 21
Unit cell lengths	28.304, 48.576, 103.045
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.920 - 1.550
R-factor	0.1615
Rwork	0.160
R-free	0.19760
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.141
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.920	1.580
High resolution limit [Å]	1.550	1.550
Rmerge	0.053	0.603
Rmeas	0.061	0.793
Rpim	0.030	0.510
Total number of observations	76715	1376
Number of reflections	20465	757
<I/σ(I)>	12.8	1.3
Completeness [%]	95.8
Redundancy	3.7	1.8
CC(1/2)	0.999	0.591

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	298	20% PEG 10000, 0.1 M Hepes