3TDN
Computationally designed two-fold symmetric Tim-barrel protein, FLR
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 12.3.1 |
| Synchrotron site | ALS |
| Beamline | 12.3.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-11-23 |
| Detector | ADSC QUANTUM 315 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 67.222, 67.222, 124.658 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 42.500 - 1.400 |
| R-factor | 0.159 |
| Rwork | 0.157 |
| R-free | 0.19300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | COMPUTATIONAL MODEL |
| RMSD bond length | 0.023 |
| RMSD bond angle | 1.814 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.450 |
| High resolution limit [Å] | 1.400 | 1.400 |
| Rmerge | 0.072 | 0.683 |
| Number of reflections | 63971 | |
| <I/σ(I)> | 19.35 | 3.01 |
| Completeness [%] | 98.0 | 96.9 |
| Redundancy | 9.7 | 9.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICROBATCH | 4.2 | 291 | 20% PEG 1000, 0.1M SODIUM CITRATE, 0.1 M AMMONIUM CHLORIDE, pH 4.2, Microbatch, temperature 291K |
