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 |