9JGB

Crystal structure of Nep1 from Pyrococcus horikoshii OT3

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2023-04-18
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	H 3 2
Unit cell lengths	113.810, 113.810, 102.400
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	71.010 - 3.100
R-factor	0.1683
Rwork	0.164
R-free	0.24511
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	1.183
Data reduction software	MOSFLM (7.4.0)
Data scaling software	Aimless (0.7.9)
Phasing software	PHASER (2.8.3)
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	71.010	3.310
High resolution limit [Å]	3.100	3.100
Rmerge	0.134	0.427
Rmeas	0.139	0.445
Rpim	0.038	0.122
Total number of observations	62217	11144
Number of reflections	4773	847
<I/σ(I)>	16.4	5.4
Completeness [%]	100.0
Redundancy	13	13.2
CC(1/2)	0.996	0.955

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	8	293	0.2M ammonium sulfate, 0.1M Tris-Base pH 8.0, 20% (v/v) PEG smear broad