7Y3X
Crystal structure of BTG13 mutant (H58F)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NFPSS BEAMLINE BL19U1 |
| Synchrotron site | NFPSS |
| Beamline | BL19U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-11-21 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.9785 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 79.292, 99.742, 129.435 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 79.010 - 2.140 |
| R-factor | 0.1755 |
| Rwork | 0.174 |
| R-free | 0.20960 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7y3w |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.545 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 79.010 | 79.010 | 2.250 |
| High resolution limit [Å] | 2.140 | 6.760 | 2.140 |
| Rmerge | 0.140 | 0.032 | 1.101 |
| Rmeas | 0.146 | 0.034 | 1.145 |
| Rpim | 0.040 | 0.010 | 0.309 |
| Total number of observations | 757621 | 23484 | 110436 |
| Number of reflections | 57432 | 1990 | 8279 |
| <I/σ(I)> | 16.2 | 53.6 | 2.6 |
| Completeness [%] | 99.8 | 99.2 | 100 |
| Redundancy | 13.2 | 11.8 | 13.3 |
| CC(1/2) | 0.999 | 1.000 | 0.898 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291 | 0.1 M Bis-Tris pH 6.45, 16% PEG10000 |
