2UYQ
Crystal structure of ML2640c from Mycobacterium leprae in complex with S-adenosylmethionine
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 | 2005-02-07 |
Detector | ADSC CCD |
Spacegroup name | P 65 |
Unit cell lengths | 75.826, 75.826, 105.655 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 65.650 - 1.800 |
R-factor | 0.192 |
Rwork | 0.190 |
R-free | 0.23100 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2ckd |
RMSD bond length | 0.017 |
RMSD bond angle | 1.560 |
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] | 50.000 | 1.900 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.100 | 0.340 |
Number of reflections | 31844 | |
<I/σ(I)> | 5.5 | 2.2 |
Completeness [%] | 99.9 | 99.9 |
Redundancy | 5.5 | 5.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 9 | 0.8 M SODIUM CITRATE, 100 MM BICINE, PH 9 |