6JDA
Crystal structure of N-acetyl mannosmaine kinase in complex with N-acetylmannosamine in Pasteurella multocida
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SOLEIL BEAMLINE PROXIMA 1 |
| Synchrotron site | SOLEIL |
| Beamline | PROXIMA 1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-07-01 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97857 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 103.816, 173.732, 48.060 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 44.559 - 2.900 |
| R-factor | 0.1966 |
| Rwork | 0.194 |
| R-free | 0.24720 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2aa4 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.2) |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.14_3211: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.060 | 3.080 |
| High resolution limit [Å] | 2.900 | 2.900 |
| Rmerge | 0.085 | 0.447 |
| Rmeas | 0.094 | 0.489 |
| Rpim | 0.038 | 0.196 |
| Total number of observations | 62338 | 9925 |
| Number of reflections | 9983 | 1573 |
| <I/σ(I)> | 13.4 | 3.7 |
| Completeness [%] | 99.5 | 99.8 |
| Redundancy | 6.2 | 6.3 |
| CC(1/2) | 0.995 | 0.881 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 291 | 0.2M lithium citrate tribasic tetrahydrate, 20%(w/v) PEG 3350 |
