1DWH
Study on radiation damage on a cryocooled crystal. Part 4: Structure after irradiation with 27.2*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 - 2.000 |
R-factor | 0.205 |
Rwork | 0.205 |
R-free | 0.21700 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1myr |
RMSD bond length | 0.029 |
RMSD bond angle | 23.300 * |
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 | 0.056 | 0.259 |
Number of reflections | 51420 | |
<I/σ(I)> | 4.3 | 2.2 |
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) |