4RVT
MAP4K4 in complex with a pyridin-2(1H)-one derivative
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X10SA |
Synchrotron site | SLS |
Beamline | X10SA |
Temperature [K] | 90 |
Detector technology | PIXEL |
Collection date | 2014-05-29 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 1.007180 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 79.990, 90.250, 90.970 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.490 - 2.400 |
R-factor | 0.2121 |
Rwork | 0.209 |
R-free | 0.27760 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4u43 |
RMSD bond length | 0.007 |
RMSD bond angle | 1.225 |
Data scaling software | XSCALE |
Phasing software | PHASER (2.5.5) |
Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 45.490 | 2.460 | |
High resolution limit [Å] | 2.400 | 10.730 | 2.400 |
Rmerge | 0.089 | 0.012 | 0.012 |
Number of reflections | 26382 | 346 | 1926 |
<I/σ(I)> | 16.64 | 55.06 | 1.79 |
Completeness [%] | 99.9 | 98.9 | 100 |
Redundancy | 6.47 | 6.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.4 | 293 | 0.1M MES, 14% v/v PEG 8000, pH 6.4, VAPOR DIFFUSION, HANGING DROP, temperature 293K |