5FL1

Structure of a hydrolase with an inhibitor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	CCD
Detector	ADSC CCD
Spacegroup name	P 2 21 21
Unit cell lengths	51.499, 162.113, 223.213
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.082 - 1.950
R-factor	0.1948
Rwork	0.193
R-free	0.22160
Structure solution method	OTHER
Starting model (for MR)	NONE
RMSD bond length	0.008
RMSD bond angle	0.897
Data reduction software	XDS
Data scaling software	XDS
Refinement software	PHENIX ((PHENIX.REFINE))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.080	1.980
High resolution limit [Å]	1.950	1.950
Rmerge	0.130	1.500
Number of reflections	137650
<I/σ(I)>	15.7	1.8
Completeness [%]	99.8	99.8
Redundancy	13.2	12

Crystallization Conditions

crystal ID	method	pH	temperature	details
1