2I9P
Crystal structure of human hydroxyisobutyrate dehydrogenase complexed with NAD+
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.2.1 |
| Synchrotron site | ALS |
| Beamline | 8.2.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-01-24 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.00000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 49.627, 167.319, 71.089 |
| Unit cell angles | 90.00, 107.80, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.550 |
| R-factor | 0.17616 |
| Rwork | 0.174 |
| R-free | 0.21983 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2gf2 |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.352 |
| Data reduction software | MOSFLM |
| Data scaling software | CCP4 ((SCALA)) |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 62.750 | 2.690 |
| High resolution limit [Å] | 2.550 | 2.550 |
| Rmerge | 0.075 | 0.520 |
| Number of reflections | 34330 | |
| <I/σ(I)> | 12.5 | 1.9 |
| Completeness [%] | 95.7 | 89.1 |
| Redundancy | 3.2 | 2.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 25% PEG 3350, 0.2 M NaCl, 0.1 M Bis-Tris, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
