2D03
Crystal structure of the G91S mutant of the NNA7 Fab
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CHESS BEAMLINE A1 |
| Synchrotron site | CHESS |
| Beamline | A1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2004-08-04 |
| Detector | ADSC QUANTUM 210 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 57.560, 70.650, 122.520 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 24.440 - 1.970 |
| R-factor | 0.218 |
| Rwork | 0.218 |
| R-free | 0.26200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1t2q |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.600 |
| Data reduction software | HKL-2000 |
| Data scaling software | CrystalClear ((MSC/RIGAKU)) |
| Phasing software | AMoRE |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 24.440 | 2.040 |
| High resolution limit [Å] | 1.970 | 1.970 |
| Rmerge | 0.424 | |
| Number of reflections | 35107 | |
| <I/σ(I)> | 9.6 | 2.6 |
| Completeness [%] | 95.1 | 88.1 |
| Redundancy | 4.21 | 3.34 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | PEG 5000 MME, (NH4)2SO4, MES, YCl3, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
