3S7Y
Crystal structure of mmNAGS in Space Group P3121 at 4.3 A resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU300 |
| Temperature [K] | 277 |
| Detector technology | IMAGE PLATE |
| Collection date | 2009-04-22 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.54178 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 95.108, 95.108, 253.011 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 31.131 - 4.308 |
| R-factor | 0.2885 |
| Rwork | 0.274 |
| R-free | 0.41880 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3s6g |
| RMSD bond length | 0.015 |
| RMSD bond angle | 2.456 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASES |
| Refinement software | PHENIX (1.6.4_486) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 4.450 |
| High resolution limit [Å] | 4.300 | 9.250 | 4.300 |
| Rmerge | 0.055 | 0.022 | 0.915 |
| Number of reflections | 9506 | ||
| <I/σ(I)> | 13.5 | ||
| Completeness [%] | 99.6 | 97.8 | 99.5 |
| Redundancy | 6.1 | 8 | 5.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.5 | 298 | 23% PEG400, 100 mM Bis-tris, 1 mM 5-amino-2,4,6-triiodoisophthalic acid, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
