1WB4
S954A mutant of the feruloyl esterase module from clostridium thermocellum complexed with sinapinate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-2 |
| Synchrotron site | ESRF |
| Beamline | ID14-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2001-10-13 |
| Detector | ADSC QUANTUM 4 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 65.066, 108.405, 113.180 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 79.060 - 1.400 |
| R-factor | 0.113 |
| Rwork | 0.111 |
| R-free | 0.13400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1gkl |
| RMSD bond length | 0.020 |
| RMSD bond angle | 1.835 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Refinement software | REFMAC (5.1.24) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.420 |
| High resolution limit [Å] | 1.400 | 1.400 |
| Rmerge | 0.040 | 0.230 |
| Number of reflections | 157644 | |
| <I/σ(I)> | 35 | 7.2 |
| Completeness [%] | 99.0 | 93.3 |
| Redundancy | 5.4 | 4.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.5 | NA ACETATE 1M CD ACETATE 50 MM GLYCEROL 5% HEPES PH 7.5 100 MM |
