8J9C
Crystal structure of M61 peptidase (apo-form) from Xanthomonas campestris
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM14 |
| Synchrotron site | ESRF |
| Beamline | BM14 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-04-28 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.974340 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 104.842, 94.512, 144.495 |
| Unit cell angles | 90.00, 104.17, 90.00 |
Refinement procedure
| Resolution | 47.260 - 2.100 |
| R-factor | 0.1561 |
| Rwork | 0.154 |
| R-free | 0.18920 |
| Structure solution method | SAD |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.597 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | AutoSol |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.260 | 2.140 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.042 | 0.201 |
| Rmeas | 0.064 | 0.217 |
| Rpim | 0.023 | 0.080 |
| Number of reflections | 153445 | 5614 |
| <I/σ(I)> | 30.5 | 9.6 |
| Completeness [%] | 96.3 | 71.4 |
| Redundancy | 7.6 | 7.2 |
| CC(1/2) | 0.990 | 0.990 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | BATCH MODE | 8.5 | 294 | 0.1M Tris-Cl pH 8.5, 0.1M NaCl, 16% PEG 4000 |
