2X3A
AsaP1 inactive mutant E294Q, an extracellular toxic zinc metalloendopeptidase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE X12 |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | X12 |
| Temperature [K] | 110 |
| Detector technology | CCD |
| Collection date | 2009-02-26 |
| Detector | MARRESEARCH |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 98.249, 74.468, 54.703 |
| Unit cell angles | 90.00, 112.35, 90.00 |
Refinement procedure
| Resolution | 57.600 - 2.000 |
| R-factor | 0.17203 |
| Rwork | 0.170 |
| R-free | 0.20461 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2x3c |
| RMSD bond length | 0.023 |
| RMSD bond angle | 1.928 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0072) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 99.000 | 2.050 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.100 | 0.390 |
| Number of reflections | 24682 | |
| <I/σ(I)> | 18.17 | 3.3 |
| Completeness [%] | 98.9 | 86.3 |
| Redundancy | 3.8 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.5 | 0.2 M MES PH 7.5, 1.6 M (NH4)2SO4 |
