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 |