9BI7

YqiA, Klebsiella pneumoniae serine hydrolase, unbound

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-03-02
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.954
Spacegroup name	P 32 2 1
Unit cell lengths	62.459, 62.459, 80.361
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	44.870 - 1.500
R-factor	0.1767
Rwork	0.175
R-free	0.21310
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.004
Data reduction software	XDS
Data scaling software	Aimless (0.7.8)
Phasing software	PHASER (2.8.3)
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.870	1.530
High resolution limit [Å]	1.500	1.500
Rmerge	0.122	5.998
Rmeas	0.126	6.189
Rpim	0.030	1.512
Total number of observations	507705	23786
Number of reflections	29609	1434
<I/σ(I)>	13.8	1.7
Completeness [%]	100.0
Redundancy	17.1	16.6
CC(1/2)	0.999	0.568

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	290	0.3 M CaCl2 6H2O, 10 % w/v PEG6K, 0.1 M Tris pH 8.0