3NDF
Cleaved antitrypsin with P8-P6 Asp
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2009-02-12 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 37.450, 83.270, 61.090 |
| Unit cell angles | 90.00, 99.66, 90.00 |
Refinement procedure
| Resolution | 48.800 - 2.700 |
| R-factor | 0.21662 |
| Rwork | 0.211 |
| R-free | 0.26787 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ezx |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.617 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0088) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.800 | 2.850 |
| High resolution limit [Å] | 2.700 | 2.700 |
| Rmerge | 0.042 | 0.129 |
| Number of reflections | 9871 | |
| <I/σ(I)> | 6.1 | |
| Completeness [%] | 96.6 | 99.4 |
| Redundancy | 1.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 6.5 | 295 | 0.12M Alcohols (Morpheus), 0.1M Buffer 1, 13.3% PEG 550MME, 6.6% PEG 20000, 20% glycerol, pH 6.5, VAPOR DIFFUSION, temperature 295K |
