8ILJ

S-formylglutathione hydrolase (BuSFGH) from Burkholderiaceae sp.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 5C (4A)
Synchrotron site	PAL/PLS
Beamline	5C (4A)
Temperature [K]	77
Detector technology	PIXEL
Collection date	2020-05-05
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.9796
Spacegroup name	P 21 21 21
Unit cell lengths	50.370, 109.290, 112.620
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.520 - 1.730
R-factor	0.1954
Rwork	0.195
R-free	0.20980
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.148
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.520	1.760
High resolution limit [Å]	1.730	1.730
Rmerge	0.081	0.397
Number of reflections	65529	6421
<I/σ(I)>	20.63
Completeness [%]	99.7
Redundancy	12.5
CC(1/2)	0.999	0.969

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		296	0.2 M ammonium citrate pH 5.0 and 20% (w/v) PEG 3350