2X3C
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] | 100 |
| Detector technology | CCD |
| Collection date | 2009-02-26 |
| Detector | MARRESEARCH |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 101.958, 72.016, 54.996 |
| Unit cell angles | 90.00, 109.78, 90.00 |
Refinement procedure
| Resolution | 57.600 - 1.990 |
| R-factor | 0.17403 |
| Rwork | 0.172 |
| R-free | 0.21425 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ge6 |
| RMSD bond length | 0.023 |
| RMSD bond angle | 1.847 |
| 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] | 90.000 | 2.050 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.090 | 0.540 |
| Number of reflections | 25131 | |
| <I/σ(I)> | 23.61 | 3.45 |
| Completeness [%] | 99.8 | 100 |
| Redundancy | 5.7 | 5.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8.5 | 1.8 M (NH4)2SO4 0.1 M TRIS/HCL PH 8.5 |
