3EEI
Crystal structure of 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase from neisseria meningitidis in complex with methylthio-immucillin-A
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X29A |
| Synchrotron site | NSLS |
| Beamline | X29A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-03-08 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.979 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 128.359, 40.897, 83.612 |
| Unit cell angles | 90.00, 109.22, 90.00 |
Refinement procedure
| Resolution | 29.240 - 1.780 |
| R-factor | 0.185 |
| Rwork | 0.184 |
| R-free | 0.21500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.823 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.4.0069) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 30.000 | 30.000 | 1.830 |
| High resolution limit [Å] | 1.780 | 4.880 | 1.780 |
| Rmerge | 0.066 | 0.045 | 0.653 |
| Number of reflections | 39063 | ||
| Completeness [%] | 100.0 | 99.9 | 100 |
| Redundancy | 4.9 | 4.8 | 4.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 298 | 0.05 AMMONIUM SULFATE, 0.05 M BIS-TRIS, 30% V/V PENTAERYTHRITOL ETHOXYLATE (15/4 EO/OH), pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
