3KMV
Crystal structure of CBM42A from Clostridium thermocellum
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-07-21 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.976 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 106.370, 106.370, 237.564 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 45.220 - 1.800 |
| R-factor | 0.16 |
| Rwork | 0.158 |
| R-free | 0.19200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1wd3 |
| RMSD bond length | 0.028 |
| RMSD bond angle | 2.121 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA (3.2.25) |
| Phasing software | PHASER (1.3.3) |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 237.564 | 1.900 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.089 | 0.381 |
| Total number of observations | 191837 | |
| Number of reflections | 144547 | |
| <I/σ(I)> | 19.8 | 2 |
| Completeness [%] | 99.9 | 99.8 |
| Redundancy | 9.8 | 9.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 293 | 0.1M sodium acetate, 2.1M sodium formate, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
