6XMR
X-ray crystallographic structure model of Lactococcus lactis prolidase mutant H38S
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CLSI BEAMLINE 08B1-1 |
| Synchrotron site | CLSI |
| Beamline | 08B1-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2019-12-22 |
| Detector | RAYONIX MX300HE |
| Wavelength(s) | 0.97935 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 80.760, 85.710, 117.600 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 41.570 - 1.700 |
| R-factor | 0.1662 |
| Rwork | 0.165 |
| R-free | 0.19840 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4zng |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER (2.8.2) |
| Refinement software | PHENIX (1.14_3260) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 41.570 | 1.760 |
| High resolution limit [Å] | 1.680 | 1.680 |
| Rmerge | 0.108 | |
| Rmeas | 0.117 | |
| Rpim | 0.044 | |
| Number of reflections | 93477 | 11518 |
| <I/σ(I)> | 15.9 | |
| Completeness [%] | 100.0 | 99.99 |
| Redundancy | 7.18 | 7.45 |
| CC(1/2) | 0.999 | 0.623 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.75 | 277.15 | 0.1 M calcium acetate, 0.1 M Bis-Tris propane, 12-15% w/v PEG3350 |
