9BD4
YjfP, Klebsiella pneumoniae serine hydrolase, unbound
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2024-03-03 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.954 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 102.706, 68.195, 65.363 |
| Unit cell angles | 90.00, 77.16, 90.00 |
Refinement procedure
| Resolution | 45.110 - 1.300 |
| R-factor | 0.162 |
| Rwork | 0.161 |
| R-free | 0.17480 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.886 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.8) |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.110 | 1.320 |
| High resolution limit [Å] | 1.300 | 1.300 |
| Rmerge | 0.124 | 2.794 |
| Rmeas | 0.139 | 3.152 |
| Rpim | 0.062 | 1.433 |
| Total number of observations | 513218 | 23779 |
| Number of reflections | 106974 | 5160 |
| <I/σ(I)> | 9.6 | 1.7 |
| Completeness [%] | 99.2 | |
| Redundancy | 4.8 | 4.6 |
| CC(1/2) | 0.998 | 0.369 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5 | 291.15 | 0.1 M ammonium sulfate, 35% w/v PEG 8,000, sodium acetate pH 5.0 |
