5J6E

Structure of disulfide crosslinked A. fumigatus FKBP12(V91C)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.3.1
Synchrotron site	ALS
Beamline	8.3.1
Temperature [K]	100
Detector technology	CCD
Collection date	2016-02-23
Detector	ADSC QUANTUM 210r
Wavelength(s)	1
Spacegroup name	P 65
Unit cell lengths	136.887, 136.887, 33.037
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	44.807 - 3.200
R-factor	0.2161
Rwork	0.210
R-free	0.27140
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	2.170
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	PHENIX (1.6.4_486)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.807
High resolution limit [Å]	3.020	3.020
Number of reflections	10597
<I/σ(I)>	8.9
Completeness [%]	92.8
Redundancy	2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	1.5 M sodium citrate, sodium cacodylate buffer pH 6.5