3N5I
Crystal structure of the precursor (S250A mutant) of the N-terminal beta-aminopeptidase BapA
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06SA |
Synchrotron site | SLS |
Beamline | X06SA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2008-09-22 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 1.0000 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 99.700, 113.700, 126.000 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.394 - 1.800 |
R-factor | 0.1549 |
Rwork | 0.154 |
R-free | 0.18010 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | single chain of PDB code 3N2W w/o aa 231-250 |
RMSD bond length | 0.009 |
RMSD bond angle | 1.138 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine: 1.6.1_357)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 29.399 | 1.900 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.098 | 0.452 |
Number of reflections | 131688 | |
<I/σ(I)> | 15.64 | 3.96 |
Completeness [%] | 99.1 | 99.2 |
Redundancy | 4.4 | 4.45 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 277 | 1.0 - 1.2 M ammonium sulfate, 0.1 M HEPES, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K |