3K79
C38A, C52V Cysteine-Free Variant of Rop (Rom)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RUH3R |
| Temperature [K] | 113 |
| Detector technology | IMAGE PLATE |
| Collection date | 2008-05-07 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.54 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 44.664, 40.304, 31.666 |
| Unit cell angles | 90.00, 101.97, 90.00 |
Refinement procedure
| Resolution | 29.630 - 1.960 |
| R-factor | 0.167 |
| Rwork | 0.163 |
| R-free | 0.25000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1rop |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.088 |
| Data reduction software | d*TREK |
| Data scaling software | d*TREK (9.9L) |
| Phasing software | PHASER (2.1.1) |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 29.630 | 29.630 | 2.030 |
| High resolution limit [Å] | 1.960 | 4.210 | 1.960 |
| Rmerge | 0.032 | 0.021 | 0.167 |
| Total number of observations | 3059 | 145 | |
| Number of reflections | 2675 | ||
| <I/σ(I)> | 47.4 | 88.1 | 9.3 |
| Completeness [%] | 66.1 | 98.8 | 7.7 |
| Redundancy | 7.26 | 7.15 | 4.65 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 298 | 25-30% methanol, 100 mM MES, 300 mM NaCl, 10% glycerol, pH 5.7-5.9, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
