5I0A
RecA mini intein in complex with cisplatin
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL14-1 |
Synchrotron site | SSRL |
Beamline | BL14-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-08-07 |
Detector | MARMOSAIC 325 mm CCD |
Wavelength(s) | 1.0711 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 57.269, 64.051, 37.167 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 37.167 - 1.500 |
R-factor | 0.1724 |
Rwork | 0.170 |
R-free | 0.19280 |
Structure solution method | SAD |
Starting model (for MR) | 2in0 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 100.000 | 100.000 | 1.530 |
High resolution limit [Å] | 1.500 | 4.070 | 1.500 |
Rmerge | 0.066 | 0.043 | 0.603 |
Rmeas | 0.071 | 0.046 | 0.657 |
Rpim | 0.026 | 0.017 | 0.255 |
Total number of observations | 159217 | ||
Number of reflections | 22614 | ||
<I/σ(I)> | 12.9 | ||
Completeness [%] | 99.9 | 99.2 | 100 |
Redundancy | 7 | 6.5 | 6.5 |
CC(1/2) | 0.999 | 0.875 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | EVAPORATION | 8.5 | 298 | 58% ammonium sulfate, 0.1M Tris, pH 8.5, 2% isopropanol, 2 mM cisplatin |