6QMM
Crystal structure of Synecochoccus Spermidine Synthase in complex with putrescine, spermidine and MTA
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE MASSIF-3 |
Synchrotron site | ESRF |
Beamline | MASSIF-3 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-04-30 |
Detector | DECTRIS EIGER X 4M |
Wavelength(s) | 0.9677 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 57.640, 63.820, 73.500 |
Unit cell angles | 90.00, 92.72, 90.00 |
Refinement procedure
Resolution | 48.170 - 2.180 |
R-factor | 0.1441 |
Rwork | 0.142 |
R-free | 0.19110 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4yuv |
RMSD bond length | 0.023 |
RMSD bond angle | 2.489 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.170 | 2.270 |
High resolution limit [Å] | 2.180 | 2.180 |
Rmerge | 0.072 | 0.226 |
Rmeas | 0.083 | 0.261 |
Number of reflections | 27391 | |
<I/σ(I)> | 16.18 | |
Completeness [%] | 99.0 | |
Redundancy | 4.2 | |
CC(1/2) | 0.997 | 0.956 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 294.15 | 0.1 M MES pH 6.0, 45 % v/v Pentaerythritol propoxylate (5/4 PO/OH) |