4Z5C
HipB-O3 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 | 109.027, 109.027, 58.796 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 49.910 - 2.500 |
| R-factor | 0.1959 |
| Rwork | 0.192 |
| R-free | 0.22870 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4Z52 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.110 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.8.2_1309)) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.540 |
| High resolution limit [Å] | 2.500 | 6.780 | 2.500 |
| Rmerge | 0.080 | 0.040 | 0.678 |
| Total number of observations | 90409 | ||
| Number of reflections | 14130 | ||
| <I/σ(I)> | 11.8 | ||
| Completeness [%] | 99.2 | 95.1 | 99.3 |
| Redundancy | 6.4 | 6.4 | 4.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 298 | 0.02 M MgCl2, 0.05 M sodium cacodylate trihydrate, pH 6.0, 5% 2-propanol, 0.001 M spermine |
