7OJ1
Bacillus subtilis IMPDH in complex with Ap4A
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 80 |
| Detector technology | PIXEL |
| Collection date | 2018-02-27 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.978561 |
| Spacegroup name | I 4 |
| Unit cell lengths | 133.750, 133.750, 149.680 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 66.880 - 2.440 |
| R-factor | 0.2692 |
| Rwork | 0.268 |
| R-free | 0.28720 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4dqw |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.077 |
| Data reduction software | MOSFLM |
| Data scaling software | Aimless (0.7.4) |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.17.1_3660: ???)) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 99.730 | 99.730 | 2.520 |
| High resolution limit [Å] | 2.440 | 9.770 | 2.440 |
| Rmerge | 0.112 | 0.070 | 0.464 |
| Rmeas | 0.129 | 0.082 | 0.536 |
| Rpim | 0.064 | 0.042 | 0.264 |
| Total number of observations | 2834 | 17530 | |
| Number of reflections | 89450 | 783 | 4474 |
| <I/σ(I)> | 6.5 | 14.8 | 2.6 |
| Completeness [%] | 99.6 | 99.3 | 99.8 |
| Redundancy | 3.8 | 3.6 | 3.9 |
| CC(1/2) | 0.991 | 0.987 | 0.649 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298 | 0.1 M Sodium Acetate pH 4.5, 40% v/v 1,2-Propanediol, 20% Glycerol. |
