5MNZ

Neutron structure of cationic trypsin in its apo form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	NUCLEAR REACTOR
Source details	FRM II BEAMLINE BIODIFF
Synchrotron site	FRM II
Beamline	BIODIFF
Temperature [K]	295
Detector technology	IMAGE PLATE
Collection date	2015-05-18
Detector	MAATEL BIODIFF
Wavelength(s)	2.670, 2.670, 2.675
Spacegroup name	P 21 21 21
Unit cell lengths	54.986, 58.544, 67.541
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	21.321 - 1.450
R-factor	0.1705
Rwork	0.169
R-free	0.20050
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4i8h
RMSD bond length	0.004
RMSD bond angle	0.857
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((dev_2429))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.480
High resolution limit [Å]	1.450	1.450
Rmerge	0.126	0.474
Number of reflections	35542
<I/σ(I)>	6.858	2.1
Completeness [%]	90.2	72.8
Redundancy	3	2.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	277	0.2 M ammonium sulfate, 0.1 M Hepes pH 7.5, 16% (w/v) PEG 8000