4JAY
Crystal structure of P. aeruginosa MurB in complex with NADP+
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-4 |
| Synchrotron site | ESRF |
| Beamline | ID14-4 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-09-29 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9762 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 153.700, 154.350, 64.470 |
| Unit cell angles | 90.00, 102.26, 90.00 |
Refinement procedure
| Resolution | 54.330 - 2.230 |
| R-factor | 0.2243 |
| Rwork | 0.223 |
| R-free | 0.25780 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2mbr |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.700 |
| Data reduction software | PROCESS |
| Data scaling software | SCALA (3.3.20) |
| Phasing software | MOLREP |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 107.643 | 54.272 | 2.350 |
| High resolution limit [Å] | 2.230 | 7.060 | 2.230 |
| Rmerge | 0.140 | 0.686 | |
| Total number of observations | 7684 | 26063 | |
| Number of reflections | 69794 | ||
| <I/σ(I)> | 3.8 | 3.5 | 0.8 |
| Completeness [%] | 98.2 | 99.1 | 95.7 |
| Redundancy | 3 | 3.4 | 2.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 0.1 M bis-tris propane pH 7.0, 0.2 M sodium potassium tartrate, 15% w/v PEG 3350, 2 mM NADPH, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
