6VRX

Mucor circinelloides FKBP12 protein bound with FK506 in P3221 space group

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	93
Detector technology	PIXEL
Collection date	2018-03-20
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0
Spacegroup name	P 32 2 1
Unit cell lengths	104.905, 104.905, 111.613
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	37.200 - 2.540
R-factor	0.2008
Rwork	0.197
R-free	0.24420
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5hua
RMSD bond length	0.007
RMSD bond angle	1.150
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.590
High resolution limit [Å]	2.540	2.540
Rmeas	0.130
Rpim	0.043	0.319
Number of reflections	23722	1167
<I/σ(I)>	27.1	2.05
Completeness [%]	99.7	94.5
Redundancy	9.3	1
CC(1/2)	0.996	0.806

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	2100 mM DL Malic acid