5T9A
Crystal structure of BuGH2Cwt
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 | 2015-03-15 |
| Detector | RAYONIX MX-300 |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 1 |
| Unit cell lengths | 75.140, 121.350, 124.520 |
| Unit cell angles | 70.90, 87.47, 78.96 |
Refinement procedure
| Resolution | 117.640 - 2.500 |
| R-factor | 0.2108 |
| Rwork | 0.208 |
| R-free | 0.26000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4cu6 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.195 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 117.640 | 2.640 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.121 | 0.548 |
| Number of reflections | 137926 | |
| <I/σ(I)> | 5.7 | |
| Completeness [%] | 97.8 | 97.1 |
| Redundancy | 2.2 | 2.2 |
| CC(1/2) | 0.935 | 0.298 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 291 | 0.2 M magnesium sulfate, 0.1 M Tris-HCl, 20 % PEG 3350 |
