3UPW
Pichia Stipitis OYE2.6 complexed with nicotinamide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X25 |
| Synchrotron site | NSLS |
| Beamline | X25 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2011-08-15 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 0.99 |
| Spacegroup name | P 63 2 2 |
| Unit cell lengths | 127.306, 127.306, 123.064 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 44.241 - 1.781 |
| R-factor | 0.1605 |
| Rwork | 0.158 |
| R-free | 0.18560 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1oya |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.049 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.7.2_869)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.810 |
| High resolution limit [Å] | 1.700 | 1.780 |
| Number of reflections | 54454 | |
| <I/σ(I)> | 37.1 | 2.1 |
| Completeness [%] | 99.9 | 96 |
| Redundancy | 10.7 | 4.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 277 | 2.4M Na Malonate, 2%iPrOH, pH 7, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
