7E5C
Bacterial prolidase mutant D45W/L225Y/H226L/H343I
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U1 |
| Synchrotron site | SSRF |
| Beamline | BL17U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-06-18 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.97918 |
| Spacegroup name | H 3 2 |
| Unit cell lengths | 182.965, 182.965, 372.079 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 67.450 - 2.220 |
| R-factor | 0.2046 |
| Rwork | 0.203 |
| R-free | 0.23470 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6ah8 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.447 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.6.2) |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 67.450 | 67.360 | 2.340 |
| High resolution limit [Å] | 2.220 | 7.010 | 2.220 |
| Rmerge | 0.130 | 0.077 | 1.130 |
| Rmeas | 0.134 | 0.079 | 1.161 |
| Rpim | 0.030 | 0.018 | 0.262 |
| Total number of observations | 72511 | 261315 | |
| Number of reflections | 111133 | 3942 | 13827 |
| <I/σ(I)> | 15.9 | 34.3 | 2.8 |
| Completeness [%] | 93.9 | 99.6 | 80.7 |
| Redundancy | 20.1 | 18.4 | 18.9 |
| CC(1/2) | 0.998 | 0.998 | 0.902 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 100mM MES (pH6.5), 5% (v/v) PEG 400, 2M ammonium sulfate |
