3FEO
The crystal structure of MBTD1
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] | 200 |
| Collection date | 2008-11-22 |
| Wavelength(s) | 0.97948 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 70.310, 100.904, 135.303 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 80.850 - 2.500 |
| R-factor | 0.211 |
| Rwork | 0.207 |
| R-free | 0.27400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3f70 |
| RMSD bond length | 0.020 |
| RMSD bond angle | 1.850 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 100.000 | 100.000 | 2.590 |
| High resolution limit [Å] | 2.500 | 5.390 | 2.500 |
| Rmerge | 0.091 | 0.034 | 0.405 |
| Number of reflections | 34002 | ||
| <I/σ(I)> | 26.317 | ||
| Completeness [%] | 99.0 | 99.8 | 93.1 |
| Redundancy | 6.9 | 6.9 | 5.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 0.2M CaOAc, 20% PEG3350, pH 7.5, VAPOR DIFFUSION, HANGING DROP |
