3NDD
Cleaved antitrypsin with P10 Pro, and P9-P6 Asp
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I02 |
| Synchrotron site | Diamond |
| Beamline | I02 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-07-04 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.97950 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 37.230, 121.880, 43.220 |
| Unit cell angles | 90.00, 113.88, 90.00 |
Refinement procedure
| Resolution | 32.790 - 1.500 |
| R-factor | 0.16235 |
| Rwork | 0.160 |
| R-free | 0.21118 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ezx |
| RMSD bond length | 0.026 |
| RMSD bond angle | 2.083 |
| 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] | 34.040 | 1.580 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.068 | 0.496 |
| Number of reflections | 55516 | |
| <I/σ(I)> | 10.4 | 2.4 |
| Completeness [%] | 98.9 | 98.8 |
| Redundancy | 3.5 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 6 | 295 | 0.1M MES/NaOH, 30% PEG 400, 35% glycerol, pH 6, VAPOR DIFFUSION, temperature 295K |
