9M95

The complex structure of Plpro and Frag124

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 PILATUS3 6M
Wavelength(s)	0.9793
Spacegroup name	P 32 2 1
Unit cell lengths	81.010, 81.010, 134.580
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	62.210 - 1.740
R-factor	0.1829
Rwork	0.182
R-free	0.20890
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.097
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]	67.290	1.790
High resolution limit [Å]	1.740	1.740
Rmerge	0.095	2.114
Rmeas	0.098	2.170
Rpim	0.023	0.487
Total number of observations	990195	76866
Number of reflections	53175	3899
<I/σ(I)>	17.4	1.5
Completeness [%]	100.0
Redundancy	18.6	19.7
CC(1/2)	0.999	0.718

Crystallization Conditions

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