3GH9
Crystal structure of EDTA-treated BdbD (Oxidised)
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, 43.570, 54.560 |
| Unit cell angles | 90.00, 107.38, 90.00 |
Refinement procedure
| Resolution | 36.790 - 1.690 |
| R-factor | 0.19784 |
| Rwork | 0.195 |
| R-free | 0.25004 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3eu3 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.225 |
| 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] | 36.790 | 1.780 |
| High resolution limit [Å] | 1.690 | 1.690 |
| Number of reflections | 18095 | |
| <I/σ(I)> | 19.9 | 3.5 |
| Completeness [%] | 92.7 | 66.2 |
| Redundancy | 5.4 | 4 |
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, 100uM EDTA, VAPOR DIFFUSION, SITTING DROP, temperature 289K |
