1PVV
Refined Structure of Pyrococcus furiosus Ornithine Carbamoyltransferase at 1.87 A
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM30A |
| Synchrotron site | ESRF |
| Beamline | BM30A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2001-09-01 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.98900 |
| Spacegroup name | F 2 3 |
| Unit cell lengths | 184.777, 184.777, 184.777 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 99.000 - 1.870 |
| Rwork | 0.213 |
| R-free | 0.26900 |
| Structure solution method | AB INITIO |
| Starting model (for MR) | 1a1s |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.023 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SHELX |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 99.000 | 1.910 |
| High resolution limit [Å] | 1.870 | 1.870 |
| Rmerge | 0.033 | 0.187 |
| Total number of observations | 304009 * | |
| Number of reflections | 42928 | |
| Completeness [%] | 98.5 | 86.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 293 | sodium acetate, ammonium sulfate, glycerol, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | sodium acetate | 0.08 (M) | pH4.6 |
| 2 | 1 | reservoir | ammonium sulfate | 2.4 (M) | |
| 3 | 1 | reservoir | glycerol | 20 (%) | |
| 4 | 1 | drop | Pfu OTCase | 8.3 (mg/ml) | |
| 5 | 1 | drop | Pfu CKase | 1.7 (mg/ml) |
