4ACY
Selenomethionine derivative of the GH99 endo-alpha-mannosidase from Bacteroides thetaiotaomicron
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I24 |
| Synchrotron site | Diamond |
| Beamline | I24 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-10-17 |
| Detector | MARRESEARCH |
| Spacegroup name | P 1 |
| Unit cell lengths | 47.721, 60.002, 78.666 |
| Unit cell angles | 103.45, 102.59, 98.59 |
Refinement procedure
| Resolution | 73.820 - 1.690 |
| R-factor | 0.17676 |
| Rwork | 0.175 |
| R-free | 0.20756 |
| Structure solution method | SAD |
| Starting model (for MR) | NONE |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.230 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | SHELX (CDE) |
| Refinement software | REFMAC (5.6.0086) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.760 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.060 | 0.480 |
| Number of reflections | 81218 | |
| <I/σ(I)> | 14.4 | 4.9 |
| Completeness [%] | 95.8 | 91.8 |
| Redundancy | 3.7 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 5.5 | 0.25 M NH4CL, 20% W/V PEG 3350, 0.1 M MES PH 6.5, 5 MM TCEP |
