9RTC

Okeania NrnC bound to pGG

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, DESY BEAMLINE P11
Synchrotron site	PETRA III, DESY
Beamline	P11
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-05-29
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	1.033200
Spacegroup name	P 1 21 1
Unit cell lengths	142.480, 176.177, 159.671
Unit cell angles	90.00, 94.85, 90.00

Refinement procedure

Resolution	49.090 - 3.000
R-factor	0.235
Rwork	0.235
R-free	0.29760
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.720
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.090	3.107
High resolution limit [Å]	3.000	3.000
Rmerge	0.178	1.429
Number of reflections	155358	15598
<I/σ(I)>	9.64
Completeness [%]	99.0	99.87
Redundancy	7.1
CC(1/2)	0.997	0.644

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		292	0.2 M lithium chloride, 20% PEG 3350