1RL4
Plasmodium falciparum peptide deformylase complex with inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.2 |
| Synchrotron site | ALS |
| Beamline | 5.0.2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2002-03-17 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.98 |
| Spacegroup name | P 65 |
| Unit cell lengths | 102.317, 102.317, 118.339 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 20.000 - 2.180 |
| R-factor | 0.19806 |
| Rwork | 0.197 |
| R-free | 0.21400 * |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1jym |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.315 * |
| Data reduction software | MOSFLM |
| Data scaling software | CCP4 ((SCALA)) |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.1.24) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 41.600 | 2.300 |
| High resolution limit [Å] | 2.180 | 2.180 |
| Rmerge | 0.111 * | 0.714 * |
| Total number of observations | 230882 * | |
| Number of reflections | 36742 | |
| <I/σ(I)> | 11.4 | 2.6 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 6.3 | 6.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 * | 294 | sodium monobasic phosphate, potassium dibasic phosphate, lithium sulfate, CAPS, pH 6.1, VAPOR DIFFUSION, SITTING DROP, temperature 294K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | HEPES | 20 (mM) | pH6.0 |
| 2 | 1 | drop | 10 (mM) | ||
| 3 | 1 | drop | protein | 6.8 (mg/ml) | |
| 4 | 1 | reservoir | 1.2 (M) | ||
| 5 | 1 | reservoir | 0.8 (M) | ||
| 6 | 1 | reservoir | 0.2 (M) | ||
| 7 | 1 | reservoir | CAPS | 0.1 (M) | pH6.1 |
