9PYN

Crystal structure of HIV Apex fab Q9M-023

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-1
Synchrotron site	NSLS-II
Beamline	17-ID-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2025-07-19
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.91972
Spacegroup name	P 21 21 21
Unit cell lengths	61.727, 73.054, 132.529
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.130 - 2.340
R-factor	0.2337
Rwork	0.232
R-free	0.27350
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.493
Data reduction software	autoPROC
Data scaling software	autoPROC
Phasing software	PHASER
Refinement software	PHENIX (1.21.2_5419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	33.132	2.376
High resolution limit [Å]	2.336	2.336
Number of reflections	26103	1294
<I/σ(I)>	8.5	1.2
Completeness [%]	99.9
Redundancy	13.7
CC(1/2)	0.997	0.353

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	40% MPD, 0.1M cacodylate pH 6.5 5% (w/v) PEG-8000, final pH 7.0