4GA7
Crystal structure of human serpinB1 mutant
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U |
| Synchrotron site | SSRF |
| Beamline | BL17U |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-11-14 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.98 |
| Spacegroup name | P 41 |
| Unit cell lengths | 67.339, 67.339, 180.288 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.900 |
| R-factor | 0.18554 |
| Rwork | 0.183 |
| R-free | 0.23202 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1by7 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.124 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 3.000 |
| High resolution limit [Å] | 2.900 | 2.900 |
| Rmerge | 0.079 | 0.439 |
| Number of reflections | 17850 | |
| <I/σ(I)> | 35 | 7 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 15.1 | 14.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 289 | 0.18M Lithium citrate tribasic tetrahydrate, 18% w/v Polyethylene glycol 3350, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 289K |
