5HWC

Aspergillus fumigatus FKBP12 P90G protein bound with FK506 in P212121 space group

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E+ SUPERBRIGHT
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2012-10-10
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.54
Spacegroup name	P 21 21 21
Unit cell lengths	37.010, 51.138, 55.592
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.636 - 2.050
R-factor	0.1706
Rwork	0.165
R-free	0.22600
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.221
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.8.1_1168)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.090
High resolution limit [Å]	2.050	5.560	2.050
Rmerge	0.057	0.050	0.095
Number of reflections	6350
<I/σ(I)>	34.1
Completeness [%]	90.3	99.5	99.1
Redundancy	5.2	4.7	5.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	0.8M Sodium Phosphate,1.2M Potassium Phosphate, 0.1M Acetate pH 4.5