3UQI
Crystallographic structure of FKBP12 from Aedes aegypti
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSRRC BEAMLINE BL13B1 |
Synchrotron site | NSRRC |
Beamline | BL13B1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-08-05 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1.0000 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 29.826, 38.677, 79.589 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 23.867 - 1.302 |
R-factor | 0.1643 |
Rwork | 0.163 |
R-free | 0.19030 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2ppn |
RMSD bond length | 0.013 |
RMSD bond angle | 1.556 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine: 1.7.1_743)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 1.350 |
High resolution limit [Å] | 1.300 | 1.300 |
Rmerge | 0.030 | 0.320 |
Number of reflections | 23141 | |
<I/σ(I)> | 54.7 | 4.7 |
Completeness [%] | 99.5 | 98.2 |
Redundancy | 7.3 | 5.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 290 | 100mM MOPS pH 8.0, 3.0M Ammonium Sulphate, VAPOR DIFFUSION, HANGING DROP, temperature 290K |