4AD0
Structure of the GH99 endo-alpha-mannosidase from Bacteriodes thetaiotaomicron in complex with BIS-TRIS-Propane
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-1 |
| Synchrotron site | ESRF |
| Beamline | ID14-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-07-04 |
| Detector | ADSC CCD |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 65.993, 168.428, 72.433 |
| Unit cell angles | 90.00, 117.08, 90.00 |
Refinement procedure
| Resolution | 48.180 - 2.090 |
| R-factor | 0.18361 |
| Rwork | 0.181 |
| R-free | 0.23681 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4acy |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.376 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.6.0116) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.180 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.120 | 0.460 |
| Number of reflections | 63710 | |
| <I/σ(I)> | 7.6 | 2.3 |
| Completeness [%] | 95.3 | 97.1 |
| Redundancy | 2.8 | 2.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.5 | 0.2 M NABR, 20% W/V PEG 3350, 0.1 M BIS-TRIS PROPANE PH 6.5 |
