1DWJ
study on radiation damage on a cryocooled crystal. Refined part 6: structure after a radiation dose of 54*10e15 photons/mm2
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-3 |
| Synchrotron site | ESRF |
| Beamline | ID14-3 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 1998-04-15 |
| Detector | MARRESEARCH |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 134.300, 136.400, 80.300 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 15.000 - 2.400 |
| R-factor | 0.186 |
| Rwork | 0.186 |
| R-free | 0.24500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1dwi |
| RMSD bond length | 0.024 |
| RMSD bond angle | 24.100 * |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | X-PLOR (3.843) |
| Refinement software | X-PLOR (3.843) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 34.900 | 2.100 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.081 | 0.958 |
| Number of reflections | 51380 | |
| <I/σ(I)> | 2.6 | 0.7 |
| Completeness [%] | 99.8 | 99.8 |
| Redundancy | 3.4 | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | HANGING DROP METHOD, 12 MG/ML PROTEIN IN 30 MM HEPES, PH 6.5, 0.05 % NAN3 PRECIPITANT 66% SATURATED AMMONIUM SULFATE, 100MM TRIS-HCL |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 12 (mg/ml) | |
| 2 | 1 | drop | HEPES | 30 (mM) | |
| 3 | 1 | reservoir | ammonium sulfate | 66 (%sat) | |
| 4 | 1 | reservoir | Tris-HCl | 100 (mM) |
