4GEG
Crystal Structure of E.coli MenH Y85F Mutant
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX1 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX1 |
| Temperature [K] | 110 |
| Detector technology | CCD |
| Collection date | 2011-11-22 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 0.953695 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 250.499, 41.589, 93.081 |
| Unit cell angles | 90.00, 95.89, 90.00 |
Refinement procedure
| Resolution | 33.710 - 2.490 |
| R-factor | 0.1802 |
| Rwork | 0.177 |
| R-free | 0.24940 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.070 |
| Data reduction software | XDS |
| Data scaling software | SCALA (3.3.16) |
| Phasing software | MOLREP |
| Refinement software | BUSTER-TNT |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 124.587 | 124.587 | 2.620 |
| High resolution limit [Å] | 2.489 | 7.870 | 2.489 |
| Rmerge | 0.324 | 0.097 | 0.954 |
| Total number of observations | 7492 | 34990 | |
| Number of reflections | 34116 | ||
| <I/σ(I)> | 5.8 | 11.5 | 2 |
| Completeness [%] | 99.7 | 99.8 | 98 |
| Redundancy | 7.3 | 6.4 | 7.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 291 | Sodium Citrate, Ammonium sulfate, Lithium sulfate, pH 5.5, vapor diffusion, hanging drop, temperature 291K |
