1KW1
Crystal Structure of 3-Keto-L-Gulonate 6-Phosphate Decarboxylase with bound L-gulonate 6-phosphate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 274 |
| Detector technology | AREA DETECTOR |
| Collection date | 2001-05-01 |
| Detector | SIEMENS HI-STAR |
| Wavelength(s) | 1.5418 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 123.978, 42.071, 91.837 |
| Unit cell angles | 90.00, 97.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 2.200 |
| R-factor | 0.18 |
| Rwork | 0.180 |
| R-free | 0.21200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1kv8 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.200 |
| Data reduction software | FRMABO |
| Data scaling software | XDS |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.280 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.030 | 0.099 * |
| Total number of observations | 56895 * | |
| Number of reflections | 22847 * | |
| <I/σ(I)> | 15.7 | 3.4 |
| Completeness [%] | 91.2 | 77.9 * |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Batch method * | 7.5 * | 298 | 18% MePEG 5000, 50 mM bis-Tris propane, pH 7.0, 25 mM L-gulonate 6-phosphate. micro-batch at 298K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | 1 | HEPES | 50 (mM) | pH7.5 |
| 2 | 1 | 1 | 5 (mM) | ||
| 3 | 1 | 1 | 100 (mM) | ||
| 4 | 1 | 1 | protein | 15 (mg/ml) | |
| 5 | 1 | 1 | MePEG5000 | 18 (%) | |
| 6 | 1 | 1 | sodium potassium phosphate | 50 (mM) | |
| 7 | 1 | 1 | bis-Tris-propane | 50 (mM) | pH7.0 |
