6SR0

X-ray pump X-ray probe on lysozyme.Gd nanocrystals: single colour reference data

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]	293
Detector technology	PIXEL
Collection date	2015-02-15
Detector	CS-PAD CXI-1
Wavelength(s)	1.74
Spacegroup name	P 43 21 2
Unit cell lengths	79.000, 79.000, 39.500
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	22.810 - 2.300
R-factor	0.189
Rwork	0.183
R-free	0.23930
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4n5r
RMSD bond length	0.009
RMSD bond angle	1.683
Data reduction software	CrystFEL
Data scaling software	XSCALE
Phasing software	REFMAC
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	22.810	2.360
High resolution limit [Å]	2.320	2.320
Number of reflections	5315	436
<I/σ(I)>	9.5	6.8
Completeness [%]	100.0	100
Redundancy	1	1
CC(1/2)	0.983	0.958

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH MODE	3	277	20 % NACL, 6 % PEG 6000, 0.1 M SODIUM acetate pH 3.0