2FP1
Secreted Chorismate Mutase from Mycobacterium tuberculosis
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-4 |
Synchrotron site | ESRF |
Beamline | ID14-4 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2003-12-03 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.9393, 0.9506, 0.9393 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 42.644, 72.673, 62.060 |
Unit cell angles | 90.00, 104.52, 90.00 |
Refinement procedure
Resolution | 31.010 - 1.550 |
R-factor | 0.17592 |
Rwork | 0.174 |
R-free | 0.21142 |
Structure solution method | MAD |
RMSD bond length | 0.014 |
RMSD bond angle | 1.367 |
Data reduction software | MOSFLM |
Data scaling software | CCP4 ((SCALA)) |
Phasing software | MLPHARE |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 31.010 | 1.630 |
High resolution limit [Å] | 1.550 | 1.550 |
Rmerge | 0.085 | 0.400 |
Number of reflections | 53094 | |
<I/σ(I)> | 10.9 | 2.5 |
Completeness [%] | 99.8 | 99.8 |
Redundancy | 4.1 | 4.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 5-15% PEG 4000, 0.2 M sodium acetate, 0.1 M cacodylate buffer, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |