4P3X
Structure of the Fe4S4 quinolinate synthase NadA from Thermotoga maritima
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE BM30A |
Synchrotron site | ESRF |
Beamline | BM30A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-06-23 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.979736 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 42.920, 157.210, 93.940 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.140 - 1.650 |
R-factor | 0.191 |
Rwork | 0.189 |
R-free | 0.23900 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1wzu |
RMSD bond length | 0.010 |
RMSD bond angle | 1.444 |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.140 | 1.750 |
High resolution limit [Å] | 1.650 | 1.650 |
Number of reflections | 38765 | |
<I/σ(I)> | 10.22 | 2.72 |
Completeness [%] | 99.9 | 100 |
Redundancy | 13.4 | 10.78 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.6 | 293 | 123 mM Tris 50 mM KCl 61% MPD 100 mM MES, pH 6.6 |