4KZT
Structure mmNAGS bound with L-arginine
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 | 2011-08-26 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.0 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 165.829, 110.823, 117.196 |
| Unit cell angles | 90.00, 91.02, 90.00 |
Refinement procedure
| Resolution | 39.298 - 2.800 |
| R-factor | 0.1986 |
| Rwork | 0.196 |
| R-free | 0.26540 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3s6h |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.354 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.8.2_1309) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.850 |
| High resolution limit [Å] | 2.800 | 7.590 | 2.800 |
| Rmerge | 0.081 | 0.048 | 0.656 |
| Number of reflections | 47676 | ||
| <I/σ(I)> | 13.1 | ||
| Completeness [%] | 90.3 | 96.9 | 54.1 |
| Redundancy | 6.6 | 6.4 | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.2 | 291 | 100 mM cacodylic acid sodium salt trihydrate, pH 6.2, 25% polypropylene glycol P400 and 200 mM magnesium chloride, VAPOR DIFFUSION, SITTING DROP, temperature 291K |
