6VCU

Homo sapiens FKBP12 protein bound with APX879 in P32 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
Spacegroup name	P 32
Unit cell lengths	53.593, 53.593, 126.891
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	31.260 - 1.690
R-factor	0.1576
Rwork	0.156
R-free	0.19550
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2ppn
RMSD bond length	0.007
RMSD bond angle	1.191
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	1.720
High resolution limit [Å]	1.690	1.690
Rmeas	0.135	0.349
Rpim	0.053	0.139
Number of reflections	45479	2284
<I/σ(I)>	30.5	5.7
Completeness [%]	100.0	100
Redundancy	6.5	6.2
CC(1/2)	0.985	0.940

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.6	293	2.5M Ammonium sulfate, 0.1M Sodium acetate trihydrate