Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | BRUKER AXS MICROSTAR |
Temperature [K] | 150 |
Detector technology | CCD |
Collection date | 2012-12-07 |
Detector | APEX II CCD |
Wavelength(s) | 1.5418 |
Spacegroup name | P 1 |
Unit cell lengths | 26.998, 31.807, 34.072 |
Unit cell angles | 89.08, 72.00, 67.81 |
Refinement procedure
Resolution | 29.280 - 0.980 |
R-factor | 0.12489 |
Rwork | 0.124 |
R-free | 0.14652 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4mwk |
RMSD bond length | 0.023 |
RMSD bond angle | 1.975 |
Data reduction software | SAINT |
Data scaling software | SAINT |
Phasing software | PHASER |
Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 29.280 | 1.020 |
High resolution limit [Å] | 0.980 | 0.980 |
Rmerge | 0.045 | 0.209 |
Number of reflections | 48959 | |
<I/σ(I)> | 15.6 | 3.2 |
Completeness [%] | 94.8 | 49.7 |
Redundancy | 3.5 | 0.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | BATCH MODE | 4.7 | 294 | 40MG HEWL CO-CRYSTALLISED WITH 2.6MG CISPLATIN, WITH THE PLATINUM COMPOUNDS BEING IN A 3-FOLD MOLAR EXCESS TO THE PROTEIN. 462.5 MicroL OF A 0.02M NAAC SOLUTION ALONG WITH 462.5 MicroL OF A 0.5M NANO3 SOLUTION WAS USED WITH 75 MicroL DMSO ADDED, BATCH, PH 4.7, EVAPORATION, TEMPERATURE 294K |