4HVJ
Crystal structure of a putative uncharacterized protein from Mycobacterium tuberculosis in complex with AMP
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU FR-E+ SUPERBRIGHT |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-09-13 |
Detector | RIGAKU SATURN 944+ |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 42.520, 76.250, 105.770 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 43.490 - 2.100 |
R-factor | 0.1799 |
Rwork | 0.177 |
R-free | 0.22670 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4hec |
RMSD bond length | 0.011 |
RMSD bond angle | 1.518 |
Data scaling software | XSCALE |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.150 |
High resolution limit [Å] | 2.100 | 9.390 | 2.100 |
Rmerge | 0.079 | 0.018 | 0.398 |
Number of reflections | 20675 | 285 | 1427 |
<I/σ(I)> | 20.87 | 76.5 | 4.7 |
Completeness [%] | 99.3 | 96.9 | 94.1 |
Redundancy | 6.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 290 | EMBio JCSG+ G1 opt: 25% Jeffamine ED2003 pH 7.0, 100mM HEPES pH 7.0; MytuD.18400.a.A1.PS01434 at 25.6mg/m, soak and cryo: 35% Jeffamine ED2003, 100mM HEPES pH 7.0, 2.5M AMP, 2.5mM MgCl2 for 1 hour, VAPOR DIFFUSION, SITTING DROP, temperature 290K |