9L8V

PyrN C-terminl domain in complex with L-glutamyl-sulfamoyl-adenosine (GSA)

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	2024-05-14
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9793
Spacegroup name	P 1 21 1
Unit cell lengths	50.010, 243.810, 100.620
Unit cell angles	90.00, 99.04, 90.00

Refinement procedure

Resolution	33.120 - 2.230
R-factor	0.188
Rwork	0.187
R-free	0.23660
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.003
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	33.120	2.310
High resolution limit [Å]	2.230	2.230
Rmerge	0.062
Number of reflections	115139	11464
<I/σ(I)>	9.5
Completeness [%]	99.9
Redundancy	2
CC(1/2)	0.996	0.627

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		290	13% PEG20000; 0.1M MES; 4% 1,3-Butanediol; 15% Ethylene Glycol