1IHN
MT938
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 14-BM-D |
| Synchrotron site | APS |
| Beamline | 14-BM-D |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2000-10-01 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.9789, 0.9792, 0.9537 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 63.630, 63.630, 116.800 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.200 |
| R-factor | 0.228 * |
| Rwork | 0.228 |
| R-free | 0.26600 |
| Structure solution method | MAD |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.300 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SnB (& SOLVE) |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 2.240 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.084 | 0.273 * |
| Total number of observations | 234960 * | |
| Number of reflections | 23544 | |
| <I/σ(I)> | 10.8 | |
| Completeness [%] | 99.8 | 100 |
| Redundancy | 10 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 * | 298 | 20% PEG 3350, 0.1 M ammonium sulphate, 0.1M NaCl, pH 6.2, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 10 (mg/ml) | |
| 2 | 1 | drop | Tris-HCl | 20 (mM) | pH8.0 |
| 3 | 1 | drop | 100 (mM) | ||
| 4 | 1 | drop | beta-mercaptoethanol | 5 (mM) | |
| 5 | 1 | reservoir | PEG3350 | 20 (%) | |
| 6 | 1 | reservoir | 0.2 (M) | ||
| 7 | 1 | reservoir | sodium cacodylate | 0.1 (M) | pH6.2 |
