5DLH

SFX structure of thermolysin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	FREE ELECTRON LASER
Source details	SLAC LCLS BEAMLINE CXI
Synchrotron site	SLAC LCLS
Beamline	CXI
Temperature [K]	298
Detector technology	PIXEL
Collection date	2014-11-17
Detector	CS-PAD CXI-1
Wavelength(s)	1.27
Spacegroup name	P 61 2 2
Unit cell lengths	93.794, 93.794, 132.243
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	44.200 - 2.250
R-factor	0.1836
Rwork	0.179
R-free	0.22710
RMSD bond length	0.004
RMSD bond angle	0.945
Data reduction software	cctbx.xfel
Phasing software	PHASER
Refinement software	PHENIX (dev_1938)

Data quality characteristics

	Overall
Low resolution limit [Å]	81.230
High resolution limit [Å]	2.250
Number of reflections	16903
<I/σ(I)>	64.9
Completeness [%]	99.9
Redundancy	347.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH MODE		298	40% PEG 2000, 100 mM MES pH 6.5, 5 mM CaCl2