4D4M
human PFKFB3 in complex with a pyrrolopyrimidone compound
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2012-03-05 |
| Detector | DECTRIS PILATUS |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 102.620, 102.620, 257.660 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 73.160 - 2.320 |
| R-factor | 0.1923 |
| Rwork | 0.191 |
| R-free | 0.20890 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.030 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.11.6) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 73.160 | 2.330 |
| High resolution limit [Å] | 2.320 | 2.320 |
| Rmerge | 0.050 | 0.480 |
| Number of reflections | 35676 | |
| <I/σ(I)> | 21.4 | 3.6 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 6.4 | 6.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 |
