5TZ5
Crystal Structure of CurK Dehydratase H996F Inactive Mutant
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-D |
| Synchrotron site | APS |
| Beamline | 23-ID-D |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-04-26 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.033 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 38.113, 94.567, 152.003 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.148 - 1.428 |
| R-factor | 0.1884 |
| Rwork | 0.187 |
| R-free | 0.21120 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | pdbid 3kg9 |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.271 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.10_2155) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.150 | 1.479 |
| High resolution limit [Å] | 1.428 | 1.428 |
| Number of reflections | 100090 | |
| <I/σ(I)> | 28.15 | 2.74 |
| Completeness [%] | 97.0 | 87 |
| Redundancy | 13 | 10.9 |
| CC(1/2) | 1.000 | 0.832 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | 1.3 M Tri-Sodium Citrate, 30mm D(+) sucrose, 100mm tris ph 8.5 |
