6F8B

LasB bound to thiol based inhibitor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-07-15
Detector	DECTRIS PILATUS3 X 2M
Wavelength(s)	0.873
Spacegroup name	P 1 21 1
Unit cell lengths	40.293, 89.998, 41.857
Unit cell angles	90.00, 114.08, 90.00

Refinement procedure

Resolution	44.999 - 1.300
R-factor	0.1435
Rwork	0.143
R-free	0.15850
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ezm
RMSD bond length	0.008
RMSD bond angle	0.975
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.220	1.346
High resolution limit [Å]	1.300	1.300
Rmerge	0.029	0.192
Number of reflections	64739
<I/σ(I)>	17.78
Completeness [%]	97.0
Redundancy	2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION		291	0.2 M Magnesium chloride, 30% (w/v) PEG 3350