8RL0

Crystal structure of a cysteine hydrolase from Ustilago maydis

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	2020-09-13
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.976253
Spacegroup name	P 4 21 2
Unit cell lengths	94.250, 94.250, 40.030
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.150 - 1.810
R-factor	0.2192
Rwork	0.217
R-free	0.25790
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.842
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.150	1.875
High resolution limit [Å]	1.810	1.810
Rmerge	0.135	2.842
Number of reflections	16972	1623
<I/σ(I)>	10.4	0.96
Completeness [%]	99.7
Redundancy	11.9
CC(1/2)	0.997	0.695

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.1 M Tris pH 7.0, 20% PEG-2000