5X5R

Crystal structure of a hydrolase from Listeria innocua

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	CCD
Collection date	2017-01-06
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97852
Spacegroup name	C 1 2 1
Unit cell lengths	120.011, 48.759, 80.301
Unit cell angles	90.00, 125.51, 90.00

Refinement procedure

Resolution	29.395 - 1.644
R-factor	0.2035
Rwork	0.202
R-free	0.23550
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3b49
RMSD bond length	0.007
RMSD bond angle	1.138
Data scaling software	HKL-3000
Phasing software	PHENIX
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000
High resolution limit [Å]	1.644
Rmerge	0.065	0.728
Number of reflections	45205
<I/σ(I)>	25.5
Completeness [%]	98.3
Redundancy	6.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		289	PEG 4000, glycerol, MES