3N99
Crystal structure of TM1086
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-B |
| Synchrotron site | APS |
| Beamline | 23-ID-B |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-07-13 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.9793 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 289.839, 299.521, 316.013 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.380 |
| R-factor | 0.15338 |
| Rwork | 0.151 |
| R-free | 0.19130 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3dcl |
| RMSD bond length | 0.020 |
| RMSD bond angle | 1.694 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.440 |
| High resolution limit [Å] | 2.380 | 2.400 |
| Rmerge | 0.113 | 0.550 |
| Number of reflections | 537068 | |
| <I/σ(I)> | 19.7 | 3.4 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 7.2 | 6.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 5.6 | 295 | 60% Tacsimate, 0.1M Na citrate, pH 5.6, VAPOR DIFFUSION, temperature 295K |
