7OJ2
Bacillus subtilis IMPDH in complex with Ap4A
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.2 |
| Synchrotron site | BESSY |
| Beamline | 14.2 |
| Temperature [K] | 293 |
| Detector technology | PIXEL |
| Collection date | 2020-02-29 |
| Detector | DECTRIS PILATUS3 2M |
| Wavelength(s) | 0.918400 |
| Spacegroup name | I 4 2 2 |
| Unit cell lengths | 110.910, 110.910, 156.850 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 55.460 - 1.760 |
| R-factor | 0.1728 |
| Rwork | 0.172 |
| R-free | 0.19740 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4dqw |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.738 |
| Data reduction software | iMOSFLM |
| Data scaling software | Aimless (0.7.4) |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 55.460 | 55.450 | 1.800 |
| High resolution limit [Å] | 1.760 | 8.980 | 1.760 |
| Rmerge | 0.183 | 0.113 | 1.733 |
| Rmeas | 0.187 | 0.115 | 1.768 |
| Rpim | 0.037 | 0.022 | 0.349 |
| Total number of observations | 9567 | 68748 | |
| Number of reflections | 48597 | 441 | 2754 |
| <I/σ(I)> | 13.4 | 32.9 | 2.3 |
| Completeness [%] | 100.0 | 99.7 | 100 |
| Redundancy | 24.3 | 21.7 | 25 |
| CC(1/2) | 0.998 | 0.996 | 0.629 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293.15 | 0.1 M citrate pH 5.6, 0.2 M Potassium/Sodium tartrate, 2.0 M Ammonium sulfate |
