2CKD
Crystal structure of ML2640 from Mycobacterium leprae
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2003-10-14 |
| Detector | ADSC QUANTUM-210 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 96.780, 96.780, 169.367 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 83.920 - 2.800 |
| R-factor | 0.202 |
| Rwork | 0.199 |
| R-free | 0.25500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PREVIOUS MODEL OBTAINED FROM SAD PHASING |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.826 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 85.000 | 2.950 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Rmerge | 0.080 | 0.250 |
| Number of reflections | 20669 | |
| <I/σ(I)> | 8 | 3 |
| Completeness [%] | 99.6 | 99.9 |
| Redundancy | 5.5 | 5.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.5 | 1.6 M AMMONIUM SULFATE, 0.1 M HEPES, PH 7.5, 50 MM MGCL2 (PROTEIN CONCENTRATION 11.8 MG/ML) |
