1NM2
Malonyl-CoA:ACP Transacylase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.3.1 |
| Synchrotron site | ALS |
| Beamline | 8.3.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2002-01-15 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.127 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 43.067, 54.486, 109.880 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.810 - 2.000 |
| R-factor | 0.232 |
| Rwork | 0.197 |
| R-free | 0.23200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1mla |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.200 |
| Data reduction software | MOSFLM |
| Data scaling software | CCP4 ((SCALA)) |
| Phasing software | CNS |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.810 | 2.130 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.081 * | 0.412 * |
| Total number of observations | 65258 * | |
| Number of reflections | 17011 | |
| <I/σ(I)> | 6.2 | 1.7 |
| Completeness [%] | 93.7 | 85.6 |
| Redundancy | 3.8 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.4 * | 297 | PEG 4000, sodium acetate, ammonium acetate, pH 5.4, VAPOR DIFFUSION, HANGING DROP, temperature 297.0K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | Tris-HCl | 10 (mM) | pH7.4 |
| 2 | 1 | drop | beta-mercaptoethanol | 1 (mM) | |
| 3 | 1 | drop | protein | 3 (mg/ml) | |
| 4 | 1 | reservoir | PEG4000 | 25 (%) | |
| 5 | 1 | reservoir | sodium acetate | 100 (mM) | pH4.8 |
| 6 | 1 | reservoir | ammonium acetate | 200 (mM) |
