4Z5D
HipB-O4 21mer complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E+ SUPERBRIGHT |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2013-01-04 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 108.604, 108.604, 59.189 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 47.027 - 2.150 |
| R-factor | 0.1793 |
| Rwork | 0.179 |
| R-free | 0.18280 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4Z52 |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.186 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.8.1_1168)) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.190 |
| High resolution limit [Å] | 2.150 | 5.830 | 2.150 |
| Rmerge | 0.048 | 0.016 | 0.602 |
| Total number of observations | 157548 | ||
| Number of reflections | 22157 | ||
| <I/σ(I)> | 15.8 | ||
| Completeness [%] | 99.9 | 99.9 | 99.2 |
| Redundancy | 7.1 | 7 | 4.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 298 | 0.02M MgCl2, 0.05M sodium cacodylate trihydrate, pH 6.0, 5~30% 2-propanol, 0.001M Spermine |
