5HA8

Structure of a cysteine hydrolase

Experimental procedure

Experimental method	LAUE
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17B1
Synchrotron site	SSRF
Beamline	BL17B1
Temperature [K]	100
Detector technology	CCD
Collection date	2015-06-22
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.979
Spacegroup name	P 31 2 1
Unit cell lengths	69.454, 69.454, 88.052
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	35.526 - 2.054
R-factor	0.172
Rwork	0.171
R-free	0.19410
RMSD bond length	0.004
RMSD bond angle	0.892
Data scaling software	SCALEPACK
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	2.050
Number of reflections	15793
<I/σ(I)>	39.75
Completeness [%]	100.0
Redundancy	13.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6	291	sodium malonate (pH 6.0), polyethylene glycol 3350