3OF3
Crystal structure of PNP with an inhibitor DADME_immH from Vibrio cholerae
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X29A |
| Synchrotron site | NSLS |
| Beamline | X29A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-09-24 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.0750 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 101.375, 160.974, 188.685 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 43.030 - 1.830 |
| R-factor | 0.15529 |
| Rwork | 0.154 |
| R-free | 0.18765 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1vhj |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.454 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP (10.2.23) |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 43.030 | 1.900 |
| High resolution limit [Å] | 1.830 | 1.830 |
| Rmerge | 0.125 | 0.672 |
| Number of reflections | 270346 | |
| <I/σ(I)> | 15.1 | 2.1 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 6.9 | 6.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 293 | 0.2M sodium acetate, 0.1M tri-sodium citrate PH 5.6, 30% PEG 4000, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
