1UPA
Carboxyethylarginine synthase from Streptomyces clavuligerus (SeMet structure)
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM14 |
| Synchrotron site | ESRF |
| Beamline | BM14 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2003-07-15 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.9788, 0.8856 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 117.690, 127.270, 196.770 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 32.440 * - 2.350 |
| R-factor | 0.159 |
| Rwork | 0.157 |
| R-free | 0.19800 |
| Structure solution method | MAD |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.340 * |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | CNS |
| Refinement software | REFMAC (5.1.24) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 32.440 | 2.480 |
| High resolution limit [Å] | 2.350 | 2.350 |
| Rmerge | 0.081 | 0.189 |
| Total number of observations | 690214 * | |
| Number of reflections | 119393 | 16804 * |
| <I/σ(I)> | 7.6 | 3.8 |
| Completeness [%] | 96.7 | 94.2 |
| Redundancy | 5.8 | 5.0 * |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 7.4 * | 17 * | 1.6M (NH4)2SO4, 0.1M HEPES PH7.4. 10 MG/ML PROTEIN WITH 3-FOLD EXCESS OF TDP., pH 7.50 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 10 (mg/ml) | |
| 2 | 1 | reservoir | ammonium sulfate | 1.6 (M) | |
| 3 | 1 | reservoir | HEPES | 0.1 (M) | pH7.4 |
