1IFX
CRYSTAL STRUCTURE OF NH3-DEPENDENT NAD+ SYNTHETASE FROM BACILLUS SUBTILIS COMPLEXED WITH TWO MOLECULES DEAMIDO-NAD
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU200 |
Temperature [K] | 120 |
Detector technology | IMAGE PLATE |
Collection date | 1998-06-03 |
Detector | RIGAKU RAXIS IV |
Wavelength(s) | 1.5418 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 53.060, 86.090, 61.080 |
Unit cell angles | 90.00, 111.18, 90.00 |
Refinement procedure
Resolution | 8.000 - 2.250 |
R-factor | 0.216 * |
Rwork | 0.195 |
R-free | 0.29700 |
Starting model (for MR) | 1ee1 |
RMSD bond length | 0.012 |
RMSD bond angle | 2.190 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Refinement software | X-PLOR (3.851) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 25.000 | 2.330 |
High resolution limit [Å] | 2.250 | 2.250 |
Rmerge | 0.080 | 0.318 |
Total number of observations | 162585 * | |
Number of reflections | 24270 | |
<I/σ(I)> | 8.9 | 3.2 |
Completeness [%] | 99.5 | 79.2 * |
Redundancy | 3.6 | 3.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.2 | 298 | sodium acetate buffer, Magnesium chloride, PEG 400, pH 5.2, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | sodium acetate | 20 (mM) | |
2 | 1 | drop | 50 (mM) | ||
3 | 1 | drop | beta-mercaptoethanol | 2.5 (mM) | |
4 | 1 | drop | protein | 15 (mg/ml) | |
5 | 1 | reservoir | PEG400 | 21-23 (%(v/v)) | |
6 | 1 | reservoir | sodium acetate | 0.1 (M) | |
7 | 1 | reservoir | 50 (mM) | ||
8 | 1 | reservoir | NaAD | 5 (mM) |