3S6H
Crystal structure of native mmNAGS/k
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 298 |
| Detector technology | CCD |
| Collection date | 2007-07-03 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 114.587, 118.211, 152.279 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 32.800 - 3.102 |
| R-factor | 0.1919 |
| Rwork | 0.186 |
| R-free | 0.29720 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3s6g |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.278 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | SHELXS |
| Refinement software | PHENIX (1.7.1_743) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 3.210 |
| High resolution limit [Å] | 3.100 | 6.670 | 3.100 |
| Rmerge | 0.092 | 0.043 | 0.607 |
| Number of reflections | 36398 | ||
| <I/σ(I)> | 8.1 | ||
| Completeness [%] | 95.5 | 99.1 | 76.2 |
| Redundancy | 6.9 | 6.9 | 5.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 291 | 25% PEG3350, 200 mM NaCl and 100 mM Bis-tris, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
