5HCO
Endothiapepsin in complex with hydrazide
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | BESSY BEAMLINE 14.1 |
Synchrotron site | BESSY |
Beamline | 14.1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-10-28 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.91841 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 45.247, 72.936, 52.730 |
Unit cell angles | 90.00, 109.15, 90.00 |
Refinement procedure
Resolution | 42.740 - 1.170 |
R-factor | 0.1258 |
Rwork | 0.125 |
R-free | 0.14320 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3pcw |
RMSD bond length | 0.006 |
RMSD bond angle | 1.216 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (1.8.4_1492) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 42.740 | 1.240 |
High resolution limit [Å] | 1.170 | 1.170 |
Rmerge | 0.442 | |
Number of reflections | 108391 | |
<I/σ(I)> | 16.78 | 2.63 |
Completeness [%] | 99.3 | 96.9 |
Redundancy | 3.7 | 3.52 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.6 | 290 | 0.1 M ammonium acetate, 0.1 M sodium acetate, 24-30% PEG 4000; crystals obtained by streak-seeding |