6U5C

RT XFEL structure of CypA solved using MESH 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	2016-12-14
Detector	RAYONIX MX170-HS
Wavelength(s)	1.32
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	19.910 - 1.620
R-factor	0.1369
Rwork	0.136
R-free	0.15690
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4yum
RMSD bond length	0.005
RMSD bond angle	0.845
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	1.650
High resolution limit [Å]	1.620	1.620
Number of reflections	26445	1297
<I/σ(I)>	5.312	0.747
Completeness [%]	100.0
Redundancy	224.08
CC(1/2)	0.993	0.865

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