1G27
CRYSTAL STRUCTURE OF E.COLI POLYPEPTIDE DEFORMYLASE COMPLEXED WITH THE INHIBITOR BB-3497
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 100 |
| Detector technology | AREA DETECTOR |
| Collection date | 1999-04-20 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.5418 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 143.140, 64.470, 85.290 |
| Unit cell angles | 90.00, 123.11, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.100 |
| R-factor | 0.21 |
| Rwork | 0.210 |
| R-free | 0.27000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.043 |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | TNT (5E) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.160 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.040 | 0.240 |
| Number of reflections | 36273 | 2368 * |
| <I/σ(I)> | 16.2 | |
| Completeness [%] | 94.7 | 92.7 |
| Redundancy | 1.95 | 1.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 * | 290 | 10mg/ml PDF, 20mM BB-3497, 25% PEG 4000, 0.1M sodium citrate, 0.2M ammonium acetate, pH 5.6, VAPOR DIFFUSION, HANGING DROP at 290K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 10 (mg/ml) | |
| 2 | 1 | drop | inhibitor | 20 (mM) | |
| 3 | 1 | drop | HEPES | 50 (mM) | |
| 4 | 1 | reservoir | PEG4000 | 25-32 (%) | |
| 5 | 1 | reservoir | sodium citrate | 0.1 (M) | |
| 6 | 1 | reservoir | ammonium sulfate | 0.2 (M) |
