6VCA
TB38 complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID30B |
| Synchrotron site | ESRF |
| Beamline | ID30B |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-11-15 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.97625 |
| Spacegroup name | C 2 2 2 |
| Unit cell lengths | 236.910, 336.200, 222.150 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.000 - 3.730 |
| R-factor | 0.2258 |
| Rwork | 0.224 |
| R-free | 0.26400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4h2f |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.682 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0257) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 78.612 | 78.612 | 3.830 |
| High resolution limit [Å] | 3.730 | 16.680 | 3.730 |
| Rmerge | 0.255 | 0.054 | 3.585 |
| Rmeas | 0.277 | 0.060 | 3.889 |
| Total number of observations | 606702 | ||
| Number of reflections | 92120 | 1123 | 6767 |
| <I/σ(I)> | 6.12 | 25.03 | 0.59 |
| Completeness [%] | 99.9 | 97.4 | 100 |
| Redundancy | 6.586 | 5.216 | 6.684 |
| CC(1/2) | 0.995 | 0.996 | 0.194 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 277 | 1.6M sodium phosphate monobasic monohydrate, 0.4M potassium phosphate dibasic, and 0.1M sodium phosphate citrate pH 5.3 |
