3HNE
Crystal structure of human ribonucleotide reductase 1 bound to the effectors TTP and ATP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-B |
| Synchrotron site | APS |
| Beamline | 23-ID-B |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-07-15 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.9000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 69.147, 114.372, 222.474 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 44.070 - 3.110 |
| R-factor | 0.18915 |
| Rwork | 0.185 |
| R-free | 0.27459 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3hnc |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.672 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 3.110 |
| High resolution limit [Å] | 3.000 | 6.460 | 3.000 |
| Rmerge | 0.131 | 0.055 | 0.657 |
| Number of reflections | 32613 | ||
| <I/σ(I)> | 9.755 | ||
| Completeness [%] | 91.7 | 93.2 | 93.8 |
| Redundancy | 6.6 | 7.2 | 6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.9 | 298 | 0.1 M Tris-HCl pH 7.9, 0.2 M LiSO4, 19% PEG 3350, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
