2WAN
Pullulanase from Bacillus acidopullulyticus
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-4 |
| Synchrotron site | ESRF |
| Beamline | ID14-4 |
| Temperature [K] | 120 |
| Detector technology | CCD |
| Collection date | 1998-10-01 |
| Detector | ADSC CCD |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 163.431, 61.983, 109.668 |
| Unit cell angles | 90.00, 109.10, 90.00 |
Refinement procedure
| Resolution | 105.410 - 1.650 |
| R-factor | 0.17681 |
| Rwork | 0.175 |
| R-free | 0.21035 |
| Structure solution method | SIRAS |
| Starting model (for MR) | NONE |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.193 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CCP4 |
| Refinement software | REFMAC (5.5.0070) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 104.000 | 1.680 |
| High resolution limit [Å] | 1.650 | 1.650 |
| Rmerge | 0.070 | 0.700 |
| Number of reflections | 124792 | |
| <I/σ(I)> | 14.5 | 1.5 |
| Completeness [%] | 95.8 | 89.1 |
| Redundancy | 3.1 | 2.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 25-35% AS (V/V OF SATURATED SOLUTION), 0.1 M ACETATE BUFFER PH 4.5, 5-10 MM NDSB 195, OR 256, OR DETERGENT SB12 |
