2O9U
Monellin (MNEI) at 1.15 resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-2 |
| Synchrotron site | ESRF |
| Beamline | ID14-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2004-10-01 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.933 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 27.103, 66.316, 27.154 |
| Unit cell angles | 90.00, 111.60, 90.00 |
Refinement procedure
| Resolution | 22.440 - 1.150 |
| R-factor | 0.133 |
| Rwork | 0.131 |
| R-free | 0.16500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1N98 |
| RMSD bond length | 0.027 |
| RMSD bond angle | 2.102 |
| Data reduction software | MOSFLM |
| Data scaling software | CCP4 ((SCALA)) |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 22.440 | 1.210 |
| High resolution limit [Å] | 1.150 | 1.150 |
| Rmerge | 0.043 | 0.298 |
| Number of reflections | 27957 | |
| <I/σ(I)> | 4.5 | |
| Completeness [%] | 88.3 | 54.2 |
| Redundancy | 3.8 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 291 | 0.2M Ammonium sulfate, 30% PEG4000, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
