3ZJK
crystal structure of Ttb-gly F401S mutant
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-1 |
| Synchrotron site | ESRF |
| Beamline | ID14-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-09-10 |
| Detector | ADSC QUANTUM 315r |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 98.557, 77.322, 101.767 |
| Unit cell angles | 90.00, 103.46, 90.00 |
Refinement procedure
| Resolution | 60.180 - 2.200 |
| R-factor | 0.17539 |
| Rwork | 0.173 |
| R-free | 0.22289 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ug6 |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.742 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 62.000 | 2.320 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.120 | 0.540 |
| Number of reflections | 75663 | |
| <I/σ(I)> | 12 | 3.1 |
| Completeness [%] | 99.8 | 99.9 |
| Redundancy | 4.1 | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.5 | SODIUM CITRATE 0.4M, SODIUM CACODYLATE 0.1M, PH 6.5 |
