5HWH

Structure of a cysteine hydrolase with a positive substrate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	CCD
Collection date	2015-11-08
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.979
Spacegroup name	P 31 2 1
Unit cell lengths	69.427, 69.427, 87.159
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	24.750 - 1.790
R-factor	0.186
Rwork	0.184
R-free	0.22000
RMSD bond length	0.007
RMSD bond angle	1.060
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	1.790
Number of reflections	26655
<I/σ(I)>	32.7
Completeness [%]	98.2
Redundancy	11.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	PEG 3350, sodium malonate