1KQP
NH3-DEPENDENT NAD+ SYNTHETASE FROM BACILLUS SUBTILIS AT 1 A RESOLUTION
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE X11 |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | X11 |
| Temperature [K] | 120 |
| Detector technology | IMAGE PLATE |
| Collection date | 1998-08-01 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.9050 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 52.280, 84.790, 59.640 |
| Unit cell angles | 90.00, 110.50, 90.00 |
Refinement procedure
| Resolution | 10.000 - 1.030 |
| R-factor | 0.118 * |
| Rwork | 0.106 |
| R-free | 0.14720 * |
| Starting model (for MR) | 1ee1 |
| RMSD bond length | 0.015 |
| RMSD bond angle | 0.031 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.080 |
| High resolution limit [Å] | 1.030 * | 1.030 * |
| Rmerge | 0.048 | 0.381 |
| Total number of observations | 790765 * | |
| Number of reflections | 231200 | |
| <I/σ(I)> | 32.8 | 2.4 |
| Completeness [%] | 90.0 * | 75 * |
| Redundancy | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 5.2 * | 298 | Devedjiev, Y., (2001) Acta Crystallogr., Sect.D, 57, 806. * |
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) | |
| 9 | 1 | reservoir | ATP | 0.5 (mM) |
