5MJL

Single-shot pink beam serial crystallography: Proteinase K

Experimental procedure

Experimental method	LAUE
Source type	SYNCHROTRON
Source details	APS BEAMLINE 14-BM-D
Synchrotron site	APS
Beamline	14-BM-D
Temperature [K]	293
Detector technology	CCD
Collection date	2016-07-10
Detector	RAYONIX MX340-HS
Wavelength(s)	1.1-1.3
Spacegroup name	P 43 21 2
Unit cell lengths	68.300, 68.300, 108.300
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.108 - 2.210
R-factor	0.157478947888
Rwork	0.154
R-free	0.19452
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5avj
RMSD bond length	0.002
RMSD bond angle	0.571
Data reduction software	Precognition/Epinorm (RenzResearch)
Phasing software	PHENIX (1.10.1-2155_9999)
Refinement software	PHENIX (1.10.1-2155_9999)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	100.000	2.310
High resolution limit [Å]	2.100	2.210
Rmerge	0.100
Number of reflections	9197
<I/σ(I)>	18.5
Completeness [%]	57.9	26.06
Redundancy	3.7	15.31

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH MODE		293	1.6M MgSO4, 10 mM CaCl2, 100 mM CHC buffer pH 6.5