7QJN

Crystal structure of an alpha/beta-hydrolase enzyme from Candidatus Kryptobacter tengchongensis (306)

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	2021-07-11
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.9763
Spacegroup name	P 32 2 1
Unit cell lengths	74.920, 74.920, 116.515
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	56.690 - 1.885
R-factor	0.2065
Rwork	0.204
R-free	0.24980
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	alphafold model
RMSD bond length	0.008
RMSD bond angle	0.970
Data reduction software	autoPROC
Data scaling software	STARANISO
Phasing software	MOLREP
Refinement software	BUSTER (2.10.4)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	64.880	2.120
High resolution limit [Å]	1.890	1.890
Rmerge	0.135	1.841
Rpim	0.033	0.465
Number of reflections	14490	724
<I/σ(I)>	14.8	1.7
Completeness [%]	93.7
Redundancy	17.7
CC(1/2)	0.999	0.634

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	1.8 M sodium phosphate monobasic monohydrate / potassium phosphate dibasic pH 5.0