5T9X
Crystal structure of BuGH16Bwt
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CLSI BEAMLINE 08ID-1 |
| Synchrotron site | CLSI |
| Beamline | 08ID-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-10-08 |
| Detector | RAYONIX MX-300 |
| Wavelength(s) | 1.28215 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 109.070, 109.070, 239.300 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 99.250 - 2.500 |
| R-factor | 0.1681 |
| Rwork | 0.166 |
| R-free | 0.20620 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4awd |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.604 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0155) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 99.250 | 2.640 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.130 | 0.549 |
| Number of reflections | 50683 | |
| <I/σ(I)> | 7.6 | 2.7 |
| Completeness [%] | 99.7 | 100 |
| Redundancy | 3.6 | 3.6 |
| CC(1/2) | 0.987 | 0.721 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 291 | 0.2 M NaCl, 0.1 M imidazole-HCl, 0.4 M NaH2PO4/1.6 M K2HPO4 |
