5U8E
Crystal Structure of substrate-free arginine kinase from spider Polybetes pythagoricus
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SEALED TUBE |
| Source details | BRUKER IMUS MICROFOCUS |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-04-27 |
| Detector | BRUKER PHOTON 100 |
| Wavelength(s) | 1.54178 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 48.131, 61.117, 60.991 |
| Unit cell angles | 90.00, 95.86, 90.00 |
Refinement procedure
| Resolution | 20.307 - 2.180 |
| R-factor | 0.1752 |
| Rwork | 0.172 |
| R-free | 0.22640 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4am1 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.852 |
| Data reduction software | PROTEUM PLUS (v2) |
| Data scaling software | PROTEUM PLUS (V2) |
| Phasing software | PHASER (2.1.2) |
| Refinement software | PHENIX ((1.11.1_2575: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.300 | 2.250 |
| High resolution limit [Å] | 2.180 | 2.180 |
| Rmerge | 0.048 | 0.284 |
| Number of reflections | 18342 | |
| <I/σ(I)> | 24.7 | 3.34 |
| Completeness [%] | 99.4 | 94.27 |
| Redundancy | 6.8 | 4.3 |
| CC(1/2) | 0.980 | 0.739 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 289 | 0.2 M ammonium acetate, 0.1 M sodium citrate tribasic dihydrate pH 5.6 and 30% w/v polyethylene glycol 4000. |
