5T49
Crystal structure of SeMet derivative BhGH81
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL11-1 |
| Synchrotron site | SSRL |
| Beamline | BL11-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-07-04 |
| Detector | MARMOSAIC 325 mm CCD |
| Wavelength(s) | 0.97944 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 65.540, 94.290, 159.170 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 81.120 - 2.500 |
| R-factor | 0.1441 |
| Rwork | 0.142 |
| R-free | 0.18850 |
| Structure solution method | SAD |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.380 |
| 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] | 81.120 | 2.600 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.169 | 0.476 |
| Number of reflections | 34789 | |
| <I/σ(I)> | 14.5 | 7.3 |
| Completeness [%] | 99.8 | 99.9 |
| Redundancy | 5.9 | 6 |
| CC(1/2) | 1.000 | 0.920 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 3.2 | 291 | 1.4/0.35 M NaH2PO4/K2HPO4, 0.075 M Na2HPO4/citric acid |
