3GYP
Rtt106p
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BSRF BEAMLINE 3W1A |
| Synchrotron site | BSRF |
| Beamline | 3W1A |
| Temperature [K] | 100 |
| Collection date | 2009-01-13 |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 46.417, 54.006, 109.510 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.810 - 2.406 |
| R-factor | 0.221 |
| Rwork | 0.218 |
| R-free | 0.27400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.593 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 20.000 | 20.000 | 2.510 |
| High resolution limit [Å] | 2.400 | 4.780 | 2.400 |
| Rmerge | 0.075 | 0.058 | 0.257 |
| Number of reflections | 10353 | ||
| <I/σ(I)> | 20.117 | ||
| Completeness [%] | 92.6 | 99.9 | 59.9 |
| Redundancy | 6 | 6.6 | 2.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 285 | 18%w/v PEG 4000, 100mM NaAc, 1%v/v jeffamine ED-2001, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 285K |
