1NG9
E.coli MutS R697A: an ATPase-asymmetry mutant
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-2 |
| Synchrotron site | ESRF |
| Beamline | ID14-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2002-03-03 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.9330 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 89.902, 92.404, 261.593 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 * - 2.600 |
| R-factor | 0.21565 |
| Rwork | 0.215 |
| R-free | 0.24900 * |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1e3m |
| RMSD bond length | 0.010 * |
| RMSD bond angle | 1.133 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.1.19) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.740 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Rmerge | 0.124 | 0.657 |
| Number of reflections | 66708 | |
| <I/σ(I)> | 4.6 | 1.1 |
| Completeness [%] | 98.7 | 99.1 * |
| Redundancy | 3.5 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 297 | Lamers, M.H., (2000) Nature, 407, 711., used microseeding * |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | PEG 6000 | ||
| 2 | 1 | 1 | NaCl | ||
| 3 | 1 | 1 | MgCl2 | ||
| 4 | 1 | 1 | HEPES | ||
| 5 | 1 | 1 | ADP | ||
| 6 | 1 | 1 | water | ||
| 7 | 1 | 2 | NaCl | ||
| 8 | 1 | 2 | MgCl2 | ||
| 9 | 1 | 2 | PEG 6000 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 14 (mg/ml) | |
| 2 | 1 | drop | HEPES | 25 (mM) | |
| 3 | 1 | drop | 250 (mM) | ||
| 4 | 1 | drop | beta-mercaptoethanol | 10-20 (mM) | |
| 5 | 1 | reservoir | PEG6000 | 12-14 (%) | |
| 6 | 1 | reservoir | 150-300 (mM) | ||
| 7 | 1 | reservoir | HEPES | 100 (mM) | |
| 8 | 1 | reservoir | 10 (mM) | ||
| 9 | 1 | reservoir | ADP | 0.100-0.150 (mM) |
