8BV9

Acylphosphatase from E. coli

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-3
Synchrotron site	ESRF
Beamline	MASSIF-3
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-11-18
Detector	DECTRIS EIGER X 4M
Wavelength(s)	0.9677
Spacegroup name	C 2 2 2
Unit cell lengths	40.415, 81.944, 63.994
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.006 - 2.552
Rwork	0.205
R-free	0.27820
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.675
Data reduction software	autoPROC
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	REFMAC (5.8.0431)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	41.970	2.670
High resolution limit [Å]	2.550	2.550
Rmerge	0.094	0.981
Rmeas	0.109
Rpim	0.053
Number of reflections	3631	431
<I/σ(I)>	10.2	1.5
Completeness [%]	99.0
Redundancy	6.5
CC(1/2)	0.998	0.440

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	293	0.2 M AS 30% w/v PEG4K