4XQ9
Crystal Structure of the Homospermidine Synthase (HSS) from Blastochloris viridis in Complex with NAD
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-1 |
Synchrotron site | ESRF |
Beamline | ID23-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-05-01 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.9763 |
Spacegroup name | P 2 21 21 |
Unit cell lengths | 60.057, 110.675, 157.490 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 9.989 - 1.600 |
R-factor | 0.1635 |
Rwork | 0.161 |
R-free | 0.20430 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4plp |
RMSD bond length | 0.008 |
RMSD bond angle | 1.149 |
Data reduction software | XDS |
Data scaling software | SCALA (3.3.20) |
Phasing software | MOLREP |
Refinement software | PHENIX ((phenix.refine: 1.9_1692)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 90.552 | 47.753 | 1.590 |
High resolution limit [Å] | 1.510 | 4.770 | 1.510 |
Rmerge | 0.058 | 5.201 | |
Rmeas | 0.247 | 0.063 | 7.132 |
Rpim | 0.099 | 0.024 | 4.844 |
Total number of observations | 737330 | 37447 | 8678 |
Number of reflections | 133537 | ||
<I/σ(I)> | 6 | 19.9 | 0.1 |
Completeness [%] | 80.9 | 99.8 | 21.1 |
Redundancy | 5.5 | 6.7 | 1.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.8 | 291 | Na-acetate, ammonium acetate, PEG 10000, NDSB-201, 1,5-diaminopentane |