7AET

Pressure wave-exposed human hemoglobin: probe only data (3500 indexed images)

This is a non-PDB format compatible entry.

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	2018-01-01
Detector	CS-PAD CXI-2
Wavelength(s)	1.743
Spacegroup name	P 21 21 21
Unit cell lengths	55.700, 158.100, 67.700
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.060 - 2.530
Rwork	0.228
R-free	0.28830
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.007
RMSD bond angle	1.490
Data reduction software	CrystFEL
Data scaling software	CrystFEL
Phasing software	REFMAC
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	28.480	2.600
High resolution limit [Å]	2.530	2.530
Number of reflections	19339	1011
<I/σ(I)>	2.1
Completeness [%]	99.9
Redundancy	18.4
CC(1/2)	0.702	0.233

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH MODE		293	3.2 M NaH2PO4/ 3.2 M K2HPO4 in a 2:1 ratio