5HWB

Aspergillus fumigatus FKBP12 apo protein in P212121 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]	100
Detector technology	CCD
Collection date	2012-08-10
Detector	MAR CCD 130 mm
Wavelength(s)	1
Spacegroup name	P 21 21 21
Unit cell lengths	44.799, 50.834, 102.996
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.584 - 2.306
R-factor	0.2105
Rwork	0.205
R-free	0.25840
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.715
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.8.4_1496)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.340
High resolution limit [Å]	2.300	6.240	2.300
Rmerge	0.069	0.035	0.366
Number of reflections	10718
<I/σ(I)>	16.2
Completeness [%]	98.7	96.5	91.2
Redundancy	4.2	4.3	2.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	2M Ammonium Sulfate, 0.1 Tris-HCl pH 7.0 and 0.2 Lithium Sulfate