4IQC
P3121 crystal form of FKBP12.6
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X25 |
| Synchrotron site | NSLS |
| Beamline | X25 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2012-07-10 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 1.1 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 52.816, 52.816, 152.949 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 45.740 - 1.903 |
| R-factor | 0.1967 |
| Rwork | 0.195 |
| R-free | 0.22160 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1c9h |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.075 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((phenix.refine: 1.7.3_928)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 100.000 | 1.930 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.094 | 0.894 |
| Number of reflections | 20094 | |
| <I/σ(I)> | 22.5 | 0.9 |
| Completeness [%] | 99.3 | 93.5 |
| Redundancy | 8.8 | 4.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | 62% ammonium sulfate, 0.1 M HEPES, pH 7.5, 4% isopropanol, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
