3WWC
The complex of pOPH_S172A of pNPB
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSRRC BEAMLINE BL13B1 |
| Synchrotron site | NSRRC |
| Beamline | BL13B1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-09-13 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 58.326, 65.236, 84.334 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 25.000 - 1.490 |
| R-factor | 0.155 |
| Rwork | 0.154 |
| R-free | 0.17300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3wl6 |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.790 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | CNS (1.21) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.000 | 1.540 |
| High resolution limit [Å] | 1.490 | 1.490 |
| Rmerge | 0.058 | 0.374 |
| Number of reflections | 52709 | |
| <I/σ(I)> | 24.6 | 3 |
| Completeness [%] | 99.8 | 99.5 |
| Redundancy | 4.5 | 4.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 295 | 0.1M tri-sodium citrate, pH 5.6, 30% w/v Polyethylene Glycol 4000, 0.3% w/v n-Octyl-beta-D-glucoside, VAPOR DIFFUSION, SITTING DROP, temperature 295K |
