6U5D

RT XFEL structure of CypA solved using LCP injection system

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	FREE ELECTRON LASER
Source details	SLAC LCLS BEAMLINE MFX
Synchrotron site	SLAC LCLS
Beamline	MFX
Temperature [K]	291
Detector technology	CCD
Collection date	2017-08-10
Detector	RAYONIX MX170-HS
Wavelength(s)	1.31
Spacegroup name	P 21 21 21
Unit cell lengths	43.010, 52.610, 89.320
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	17.430 - 1.650
R-factor	0.1442
Rwork	0.143
R-free	0.16710
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4yum
RMSD bond length	0.004
RMSD bond angle	0.657
Data reduction software	DIALS
Data scaling software	DIALS
Phasing software	PHASER
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.680
High resolution limit [Å]	1.650	1.650
Number of reflections	25034	1216
<I/σ(I)>	4.062	1.076
Completeness [%]	99.9
Redundancy	98.9
CC(1/2)	0.945	0.567

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH MODE	7.5	291	100 mM HEPES, pH 7.5, 5 mM TCEP, 20% PEG3350