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 |
