1OTH
CRYSTAL STRUCTURE OF HUMAN ORNITHINE TRANSCARBAMOYLASE COMPLEXED WITH N-PHOSPHONACETYL-L-ORNITHINE
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X12C |
| Synchrotron site | NSLS |
| Beamline | X12C |
| Temperature [K] | 120 |
| Collection date | 1998-03-15 |
| Spacegroup name | P 21 3 |
| Unit cell lengths | 125.900, 125.900, 125.900 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.000 - 1.850 |
| R-factor | 0.179 |
| Rwork | 0.179 |
| R-free | 0.20100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2ort |
| RMSD bond length | 0.011 |
| RMSD bond angle | 23.900 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | X-PLOR (3.851) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 1.930 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmerge | 0.093 | 0.270 |
| Total number of observations | 1393080 * | |
| Number of reflections | 51424 | 51424 * |
| <I/σ(I)> | 12.2 | 3.4 |
| Completeness [%] | 86.4 | 63.3 |
| Redundancy | 28 | 25 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 7.4 * | 18 * | 20 MM TRISAC, 2MM EDTA, 20MM KCL, 4MM PALO PH=7.4, pH 7.5 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | OTCase | 20 (mg/ml) | |
| 2 | 1 | drop | PALO | 4 (mM) | |
| 3 | 1 | drop | Tris-acetate | 20 (mM) | |
| 4 | 1 | drop | EDTA | 2 (mM) | |
| 5 | 1 | drop | 20 (mM) | ||
| 6 | 1 | reservoir | PEG400 | 2 (%) | |
| 7 | 1 | reservoir | ammonium sulfate | 2 (M) | |
| 8 | 1 | reservoir | sodium HEPES | 0.1 (M) |
