8CVU

20ns Temperature-Jump (Light) XFEL structure of Lysozyme

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	FREE ELECTRON LASER
Source details	SACLA BEAMLINE BL3
Synchrotron site	SACLA
Beamline	BL3
Temperature [K]	291
Detector technology	CCD
Collection date	2017-11-29
Detector	MPCCD
Wavelength(s)	1.24
Spacegroup name	P 43 21 2
Unit cell lengths	79.523, 79.523, 38.233
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	31.620 - 1.570
R-factor	0.1521
Rwork	0.151
R-free	0.17230
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1iee
RMSD bond length	0.005
RMSD bond angle	0.688
Data reduction software	cctbx.xfel
Data scaling software	cxi.merge
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	31.620	1.600
High resolution limit [Å]	1.570	1.570
Number of reflections	319599	85262
<I/σ(I)>	12.969	6.918
Completeness [%]	100.0
Redundancy	181.56
CC(1/2)	0.996	0.346

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH MODE	3	291	Lysozyme [20 mg/ml dissolved in 0.1 M sodium acetate at pH 3.0] mixed with precipitant [28% (w/v) NaCl, 8% (w/v) PEG6000 and 0.1 M sodium acetate at pH 3.0] in a 1:1 ratio