4IPM
Crystal structure of a GH7 family cellobiohydrolase from Limnoria quadripunctata in complex with thiocellobiose
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-10-31 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 2 21 21 |
| Unit cell lengths | 47.490, 79.780, 105.160 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 23.000 - 1.140 |
| R-factor | 0.1234 |
| Rwork | 0.122 |
| R-free | 0.15510 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4gwa |
| RMSD bond length | 0.022 |
| RMSD bond angle | 2.025 |
| Data reduction software | MOSFLM |
| Data scaling software | Aimless (0.1.26) |
| Phasing software | PHASER (2.5.1) |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 63.559 | 28.200 | 1.160 |
| High resolution limit [Å] | 1.140 | 6.240 | 1.140 |
| Rmerge | 0.084 | 0.031 | 0.636 |
| Rpim | 0.017 | 0.482 | |
| Total number of observations | 3578 | 12116 | |
| Number of reflections | 140362 | ||
| <I/σ(I)> | 8.4 | 22.9 | 1.3 |
| Completeness [%] | 96.4 | 95.2 | 72.7 |
| Redundancy | 3.7 | 3.8 | 2.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 289 | 100mM sodium acetate pH 4.5, 500mM CaCl2, 15% (w/v) PEG 6000, VAPOR DIFFUSION, HANGING DROP, temperature 289K |
