3GHA
Crystal Structure of ETDA-treated BdbD (Reduced)
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I02 |
| Synchrotron site | Diamond |
| Beamline | I02 |
| Temperature [K] | 100 |
| Wavelength(s) | 0.9798 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 38.550, 43.630, 54.580 |
| Unit cell angles | 90.00, 107.40, 90.00 |
Refinement procedure
| Resolution | 22.670 - 1.400 |
| R-factor | 0.21114 |
| Rwork | 0.209 |
| R-free | 0.25439 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3eu3 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.207 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | BP3 |
| Refinement software | REFMAC (5.5.0066) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.080 | 1.480 |
| High resolution limit [Å] | 1.400 | 1.400 |
| Number of reflections | 33423 | |
| <I/σ(I)> | 9.6 | 2.4 |
| Completeness [%] | 97.8 | 99.6 |
| Redundancy | 3.4 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 289 | 25-27% PEG2000, 100mM Ammonium Acetate, 100mM MES, pH6.5, 0.1mM EDTA, 0.1mM DTT, VAPOR DIFFUSION, SITTING DROP, temperature 289K |
