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 |