1NG3
Complex of ThiO (glycine oxidase) with acetyl-glycine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 8-BM |
| Synchrotron site | APS |
| Beamline | 8-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2002-01-01 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9791 |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 139.378, 139.378, 208.155 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 50.000 * - 2.600 |
| R-factor | 0.208 |
| Rwork | 0.208 |
| R-free | 0.23900 * |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | MAD Phased Structure of ThiO |
| RMSD bond length | 0.007 |
| RMSD bond angle | 23.200 * |
| Data reduction software | MOSFLM |
| Data scaling software | CCP4 ((SCALA)) |
| Phasing software | CNS |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | |
| High resolution limit [Å] | 2.600 | |
| Rmerge | 0.068 * | 0.311 * |
| Total number of observations | 164553 * | |
| Number of reflections | 34445 * | |
| Completeness [%] | 96.4 | 96.4 * |
| Redundancy | 4.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.15 | 295 | PEG MME 2000, HEPES, pH 7.15, VAPOR DIFFUSION, HANGING DROP, temperature 295.0K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 10 (mg/ml) | |
| 2 | 1 | reservoir | PEG2000 MME | 18 (%) | |
| 3 | 1 | reservoir | HEPES | 100 (mM) | pH7.15 |
