3CKJ
Crystal Structure of a Mycobacterial Protein
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 14-BM-C |
Synchrotron site | APS |
Beamline | 14-BM-C |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-04-15 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.9793, 0.9794, 0.9641, 1.0 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 86.600, 86.600, 104.300 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.000 - 1.800 |
R-factor | 0.19046 |
Rwork | 0.190 |
R-free | 0.20124 |
Structure solution method | MAD |
RMSD bond length | 0.019 |
RMSD bond angle | 1.568 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | SnB |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 100.000 | 1.860 |
High resolution limit [Å] | 1.800 | 1.800 |
Number of reflections | 35916 | |
<I/σ(I)> | 2.6 | |
Redundancy | 4.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 293 | 1.6 M mono-Ammonium dihydrogen phosphate, 0.1 M Sodium citrate pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |