1H4F
E. COLI BETA-KETOACYL [ACYL CARRIER PROTEIN] SYNTHASE I K328R
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | MAX II BEAMLINE I711 |
| Synchrotron site | MAX II |
| Beamline | I711 |
| Temperature [K] | 120 |
| Detector technology | CCD |
| Collection date | 2002-09-15 |
| Detector | MARRESEARCH |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 58.928, 139.040, 211.656 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.900 * - 2.000 |
| R-factor | 0.178 |
| Rwork | 0.178 |
| R-free | 0.22700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ek4 |
| RMSD bond length | 0.015 |
| RMSD bond angle | 23.400 * |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | AMoRE |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.900 | 2.200 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.061 | 0.143 * |
| Number of reflections | 67310 | |
| <I/σ(I)> | 11.2 | 5.1 |
| Completeness [%] | 90.8 | 90.1 |
| Redundancy | 3.5 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 8 * | 294 * | 2% PEG 400, 1.9 M AMMONIUM SULPHATE, 0.1 M BIS-TRIS PROPANE PH 6.5 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 14.0 (mg/ml) | |
| 2 | 1 | drop | Trizma | 25 (mM) | |
| 3 | 1 | drop | EDTA | 2 (mM) | |
| 4 | 1 | drop | dithiothreitol | 1 (mM) | pH8.0 |
| 5 | 1 | reservoir | PEG400 | 2 (%(w/v)) | |
| 6 | 1 | reservoir | bis-tris propane | 100 (%) | pH6.5 |
| 7 | 1 | reservoir | ammonium sulfate | 1.9 (M) | pH7.4 |
