5KPJ
Mouse pgp methylated protein
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-06-23 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.89 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 88.646, 137.170, 186.087 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 21.451 - 3.500 |
| R-factor | 0.287 |
| Rwork | 0.285 |
| R-free | 0.31490 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4m1m |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.078 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | PHENIX ((dev_2443: ???)) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 3.630 |
| High resolution limit [Å] | 3.500 | 7.530 | 3.500 |
| Rmerge | 0.135 | 0.112 | 0.457 |
| Rmeas | 0.144 | 0.118 | 0.535 |
| Rpim | 0.048 | 0.036 | 0.269 |
| Total number of observations | 177435 | ||
| Number of reflections | 28399 | ||
| <I/σ(I)> | 7.9 | ||
| Completeness [%] | 94.6 | 99.1 | 84.9 |
| Redundancy | 6.2 | 10.8 | 3.2 |
| CC(1/2) | 0.985 | 0.081 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 277 | The protein was methylated in the presende of AMPPNP with formaldehyd and dimethyl amino borane and subsquently purifed by size exclusion chromatography. Crysallization with 50 mM Tris 7.5, 100 mM NaCl and 30% PEG550 MME |
