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) |