9M90

The complex structure of Plpro and Frag13

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-07-21
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9793
Spacegroup name	P 32 2 1
Unit cell lengths	82.050, 82.050, 134.520
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.850 - 2.030
R-factor	0.2259
Rwork	0.225
R-free	0.24330
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.977
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.19_4092: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.850	2.080
High resolution limit [Å]	2.030	2.030
Rmerge	0.129	1.520
Rpim	0.045	0.521
Number of reflections	33417	2527
<I/σ(I)>	19.6	2
Completeness [%]	96.6
Redundancy	18.2
CC(1/2)	0.990	0.840

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION	6	277	1.6 M Sodium Malonate Dibasic Monohydrate