7NSY

Drosophila PGRP-LB C160S mutant

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-04-05
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.979
Spacegroup name	P 1
Unit cell lengths	41.020, 49.187, 52.143
Unit cell angles	71.82, 79.00, 66.84

Refinement procedure

Resolution	49.390 - 1.400
Rwork	0.167
R-free	0.18790
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1oht
RMSD bond length	0.014
RMSD bond angle	1.906
Data reduction software	Aimless (0.7.4)
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	49.390	49.390	1.420
High resolution limit [Å]	1.400	7.670	1.400
Rmerge	0.033	0.019	0.260
Rmeas	0.046	0.027	0.368
Rpim	0.033	0.019	0.260
Number of reflections	67209	421	3218
<I/σ(I)>	14.1
Completeness [%]	96.1
Redundancy	3.4	3.4	2.6
CC(1/2)	0.999	0.999	0.875

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.2 M Sodium thiocyanate, 20%c w/v PEG 3350