7NSZ

Drosophila PGRP-LB Y78F 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 61 2 2
Unit cell lengths	40.502, 40.502, 338.941
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	56.554 - 1.300
Rwork	0.186
R-free	0.22070
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1oht
RMSD bond length	0.014
RMSD bond angle	1.904
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]	338.940	338.940	1.320
High resolution limit [Å]	1.300	7.120	1.300
Rmerge	0.096	0.054	0.443
Rmeas	0.098	0.055	0.478
Rpim	0.022	0.013	0.176
Number of reflections	42802	398	1995
<I/σ(I)>	20.8
Completeness [%]	99.9
Redundancy	31.5	24.2	13
CC(1/2)	0.998	0.985	0.955

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293	0.2 M Sodium chloride, 0.1 M HEPES pH 7.0, 20 % w/v PEG 6000