9OHY

CD1c presenting phosphomycoketide in its open conformation

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	CCD
Collection date	2023-12-06
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.95373
Spacegroup name	P 21 21 21
Unit cell lengths	54.452, 83.468, 92.541
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.930 - 2.200
R-factor	0.2015
Rwork	0.199
R-free	0.24130
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.035
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.21.2_5419))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.310	2.270
High resolution limit [Å]	2.200	2.200
Rpim	0.053	0.436
Number of reflections	22138	1906
<I/σ(I)>	18.2
Completeness [%]	100.0	100
Redundancy	11.2	11.2
CC(1/2)	0.991	0.853

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	9.46	293	0.1 M CHES pH 9.46 1.05 M tri-Na Citrate 0.025 M tri-glycine