6VCT

Mucor circinelloides FKBP12 protein bound with APX879 in C2221 space group

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-BM
Synchrotron site	APS
Beamline	22-BM
Temperature [K]	93
Detector technology	CCD
Collection date	2019-04-21
Detector	RAYONIX MX300-HS
Wavelength(s)	1.0
Spacegroup name	C 2 2 21
Unit cell lengths	58.533, 75.544, 46.543
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.810 - 1.940
R-factor	0.1587
Rwork	0.154
R-free	0.20600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5hua
RMSD bond length	0.006
RMSD bond angle	1.068
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.970
High resolution limit [Å]	1.940	1.940
Rmeas	0.080	0.176
Rpim	0.021	0.045
Number of reflections	7938	385
<I/σ(I)>	56.9	19.1
Completeness [%]	100.0	100
Redundancy	14.5	14.6
CC(1/2)	0.996	0.994

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	1600mM Sodium Citrate Tribasic