4B63
A. fumigatus ornithine hydroxylase (SidA) bound to NADP and ornithine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X29A |
Synchrotron site | NSLS |
Beamline | X29A |
Temperature [K] | 100 |
Detector technology | CCD |
Detector | ADSC QUANTUM 315 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 77.806, 84.424, 145.130 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 42.210 - 1.900 |
R-factor | 0.20537 |
Rwork | 0.204 |
R-free | 0.22940 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3s61 |
RMSD bond length | 0.005 |
RMSD bond angle | 0.999 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | REFMAC (5.6.0119) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.970 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.080 | 0.510 |
Number of reflections | 35689 | |
<I/σ(I)> | 12.1 | 5.1 |
Completeness [%] | 98.7 | 99.5 |
Redundancy | 13.8 | 13 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.6 | HANGING DROP VAPOR DIFFUSION METHOD, WITH A RESERVOIR SOLUTION CONTAINING; 1.6 M AMMONIUM SULFATE, 0.1 M HEPES, 2% DIOXANE, PH 6.6. |