3W1H
Crystal structure of the selenocysteine synthase SelA from Aquifex aeolicus
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL41XU |
Synchrotron site | SPring-8 |
Beamline | BL41XU |
Temperature [K] | 90 |
Detector technology | CCD |
Collection date | 2007-12-03 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1.00000 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 167.033, 167.033, 211.109 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.247 - 3.893 |
R-factor | 0.2235 |
Rwork | 0.220 |
R-free | 0.28220 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3w1i |
RMSD bond length | 0.008 |
RMSD bond angle | 1.222 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 4.040 |
High resolution limit [Å] | 3.893 | 3.900 |
Rmerge | 0.103 | 0.736 |
Number of reflections | 26396 | |
<I/σ(I)> | 15.3 | 2.02 |
Completeness [%] | 94.1 | 86.8 |
Redundancy | 9.1 | 8.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 120mM Tris-HCl, 11% PEG 4000, 200mM MgCl2, 90mM NiCl2, 50mM Na2S2O3, 50mM L-serine, 0.2M NaCl, 10mM 2-mercaptoethanol, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |