7PQO
Catalytic fragment of MASP-1 in complex with P1 site mutant ecotin
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-2 |
| Synchrotron site | ESRF |
| Beamline | ID23-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-11-09 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.8726 |
| Spacegroup name | I 4 2 2 |
| Unit cell lengths | 251.066, 251.066, 211.585 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 39.600 - 3.390 |
| R-factor | 0.2588 |
| Rwork | 0.257 |
| R-free | 0.29690 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDB structure 1AZZ and SP and CCP1-CCP2 fragments of PDB structure 3GOV were used. |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.551 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 3.490 |
| High resolution limit [Å] | 3.400 | 3.400 |
| Rmeas | 0.021 | 2.550 |
| Number of reflections | 45525 | 3058 |
| <I/σ(I)> | 13.02 | 0.74 |
| Completeness [%] | 97.1 | 90.1 |
| Redundancy | 7.49 | 5.54 |
| CC(1/2) | 0.997 | 0.595 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 3.7M NaCl, 0.1M HEPES, pH 7.0 |
