3X2L
X-ray structure of PcCel45A apo form at 95K.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL44XU |
| Synchrotron site | SPring-8 |
| Beamline | BL44XU |
| Temperature [K] | 95 |
| Detector technology | CCD |
| Collection date | 2013-05-26 |
| Detector | RAYONIX MX300HE |
| Wavelength(s) | 0.75 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 45.450, 58.086, 62.862 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 27.643 - 0.830 |
| R-factor | 0.1156 |
| Rwork | 0.115 |
| R-free | 0.12480 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.303 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.9_1692)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 0.810 |
| High resolution limit [Å] | 0.800 | 0.800 |
| Rmerge | 0.161 | 0.402 |
| Number of reflections | 176380 | |
| <I/σ(I)> | 15.1 | 3 |
| Completeness [%] | 97.0 | 92.5 |
| Redundancy | 8 | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Liquid diffusion under micro gravity | 8 | 293 | 60% 3-methyl-1,5-pentanediol, 50mM Tris-HCl, pH 8.0, Liquid diffusion under micro gravity, temperature 293K |
