5XNC
Crystal structure of the branched-chain polyamine synthase (BpsA) in complex with N4-aminopropylspermidine and 5-methylthioadenosine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL44XU |
| Synchrotron site | SPring-8 |
| Beamline | BL44XU |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-06-30 |
| Detector | RAYONIX MX300HE |
| Wavelength(s) | 0.90 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 137.533, 50.978, 402.428 |
| Unit cell angles | 90.00, 93.69, 90.00 |
Refinement procedure
| Resolution | 43.530 - 1.840 |
| R-factor | 0.164 |
| Rwork | 0.161 |
| R-free | 0.20700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.026 |
| RMSD bond angle | 2.283 |
| Data reduction software | HKL-2000 (v706c) |
| Data scaling software | HKL-2000 (v706c) |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0131) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.910 |
| High resolution limit [Å] | 1.840 | 1.840 |
| Number of reflections | 241983 | |
| <I/σ(I)> | 27.7 | 2.8 |
| Completeness [%] | 99.8 | 99.9 |
| Redundancy | 5.2 | 5.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 277 | 100 mM sodium citrate tribasic dihydrate (pH 5.6), 2.5 M (w/v) 1,6-hexanediol |
