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 |