1NU3
Limonene-1,2-epoxide hydrolase in complex with valpromide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | MAX II BEAMLINE I711 |
| Synchrotron site | MAX II |
| Beamline | I711 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2002-04-18 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.944 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 45.596, 47.656, 129.244 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.000 - 1.750 |
| R-factor | 0.15945 |
| Rwork | 0.158 |
| R-free | 0.19500 * |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.900 * |
| Data reduction software | MOSFLM |
| Data scaling software | CCP4 ((SCALA)) |
| Phasing software | FFT |
| Refinement software | REFMAC (5.1.24) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 * | 1.800 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Rmerge | 0.056 * | 0.107 * |
| Number of reflections | 29009 | |
| <I/σ(I)> | 20.7 | 12.2 |
| Completeness [%] | 99.3 | 97.5 |
| Redundancy | 3.9 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 * | 4 * | PEG 6000, LiCl, MES, pH 6.0, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 12.8 (mg/ml) | |
| 2 | 1 | drop | HEPES | 10 (mM) | pH7.0 |
| 3 | 1 | reservoir | PEG6000 | 30 (%) | |
| 4 | 1 | reservoir | 1 (M) | ||
| 5 | 1 | reservoir | MES | 0.1 (M) | pH6.0 |
