6TAE

Neutron structure of ferric ascorbate peroxidase

Experimental procedure

Experimental method	LAUE
Source type	NUCLEAR REACTOR
Source details	ILL BEAMLINE LADI III
Synchrotron site	ILL
Beamline	LADI III
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2017-10-01
Detector	MAATEL IMAGINE
Wavelength(s)	2.87-3.4
Spacegroup name	P 42 21 2
Unit cell lengths	82.904, 82.904, 75.868
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.076 - 2.222
R-factor	0.278
Rwork	0.276
R-free	0.30760
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5jpr
RMSD bond length	0.013
RMSD bond angle	1.521
Refinement software	PHENIX (1.7.3_928)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	36.680	2.300	1.940
High resolution limit [Å]	2.200	2.200	1.900
Rmerge	0.100	0.200	0.700
Number of reflections	10136	1238	1422
<I/σ(I)>	5.9
Completeness [%]	77.5
Redundancy	3.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		300	Lithium Sulfate HEPES
1	VAPOR DIFFUSION, HANGING DROP		300	Lithium Sulfate HEPES