1NAQ
Crystal structure of CUTA1 from E.coli at 1.7 A resolution
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE BW7A |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | BW7A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2002-08-14 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.005231, 1.00870, 0.93200 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 55.989, 89.563, 122.294 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 * - 1.700 |
| R-factor | 0.20702 |
| Rwork | 0.203 |
| R-free | 0.25500 * |
| Structure solution method | MAD |
| RMSD bond length | 0.020 |
| RMSD bond angle | 1.990 * |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | SOLVE |
| Refinement software | REFMAC (5.1.80) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 * | 1.790 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.091 | 0.519 * |
| Total number of observations | 643844 * | |
| Number of reflections | 65739 | 9337 * |
| <I/σ(I)> | 5.7 | 1.1 |
| Completeness [%] | 97.2 | 96.3 |
| Redundancy | 9.7 | 9.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion * | 7.5 | 20 * | 0.1M Na HEPES, 2M Ammonium sulphate, 2% PEG 400, 2 mM 4-(hydroxymercuri)benzoic acid, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 12 (mg/ml) | |
| 2 | 1 | reservoir | HEPES | 0.1 (M) | pH7.5 |
| 3 | 1 | reservoir | ammonium sulfate | 2.0 (M) | |
| 4 | 1 | reservoir | PEG400 | 2 (%) | |
| 5 | 1 | reservoir | 4-(hydroxymercuri)benzoic acid | 3 (mM) |
