2PGY
GTB C209A, no Hg
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 113 |
| Detector technology | IMAGE PLATE |
| Collection date | 2006-05-27 |
| Detector | RIGAKU RAXIS IV |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 53.390, 151.850, 80.240 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.500 - 2.390 |
| R-factor | 0.172 |
| Rwork | 0.168 |
| R-free | 0.23600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | GTB |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.341 |
| Data reduction software | d*TREK |
| Data scaling software | d*TREK (9.4SSI) |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 19.500 | 19.500 | 2.480 |
| High resolution limit [Å] | 2.390 | 5.120 | 2.390 |
| Rmerge | 0.075 | 0.036 | 0.273 |
| Total number of observations | 5715 | 5670 | |
| Number of reflections | 12774 | ||
| <I/σ(I)> | 11.5 | 28.5 | 3.8 |
| Completeness [%] | 96.0 | 92.2 | 95.6 |
| Redundancy | 4.43 | 4.35 | 4.43 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 |
