10AF

Crystal Structure of cyclophilin B, from Brugia malayi (K5H/S166A mutant)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 19-ID
Synchrotron site	NSLS-II
Beamline	19-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-12-14
Detector	DECTRIS EIGER2 XE 9M
Wavelength(s)	0.9786
Spacegroup name	P 31 2 1
Unit cell lengths	57.614, 57.614, 97.260
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	44.390 - 1.250
R-factor	0.1158
Rwork	0.115
R-free	0.13480
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.000
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((2.0_5896: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.630	1.270
High resolution limit [Å]	1.250	1.250
Rmerge	0.054	0.456
Rmeas	0.056	0.490
Rpim	0.013	0.172
Number of reflections	50888	1939
<I/σ(I)>	28
Completeness [%]	97.1	76.4
Redundancy	17.1	7.6
CC(1/2)	1.000	0.914

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	291	Index A5: 2.0 M Ammonium sulfate, 0.1 M HEPES pH 7.5. BrmaA.01375.b.B1.PS01744 at 31 mg/mL. plate 14177 A4 drop 2, Puck: BNL-OEP 001-008, Cryo: 80% crystallant + 20% PEG 200