4UUI
A case study for twinned data analysis: multiple crystal forms of the enzyme N-acetyl-neuraminic lyase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I02 |
| Synchrotron site | Diamond |
| Beamline | I02 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-08-08 |
| Detector | ADSC CCD |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 77.985, 116.665, 83.678 |
| Unit cell angles | 90.00, 118.06, 90.00 |
Refinement procedure
| Resolution | 73.850 - 1.790 |
| R-factor | 0.15683 |
| Rwork | 0.155 |
| R-free | 0.18383 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2xfw |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.134 |
| Refinement software | REFMAC (5.6.0105) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 73.920 | 1.900 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.120 | 0.530 |
| Number of reflections | 122053 | |
| <I/σ(I)> | 1 | 4.9 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 7.2 | 7.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8.2 | 100MM TRIS-HCL PH 8.2, 200MM NACL, 18% PEG3350 |
