4EGE
Crystal Structure of Dipeptidase PepE from Mycobacterium ulcerans
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.2 |
Synchrotron site | ALS |
Beamline | 5.0.2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-04-23 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.973962 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 120.420, 120.420, 58.240 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.000 - 2.200 |
R-factor | 0.1912 |
Rwork | 0.188 |
R-free | 0.24560 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1wn1 |
RMSD bond length | 0.011 |
RMSD bond angle | 1.489 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.260 | |
High resolution limit [Å] | 2.200 | 9.840 | 2.200 |
Rmerge | 0.108 | 0.043 | 0.544 |
Number of reflections | 22015 | 238 | 1623 |
<I/σ(I)> | 10.84 | 26.97 | 3.02 |
Completeness [%] | 98.7 | 77.5 | 99.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 289 | 0.1 M sodium cacodylate pH 6.50, 200 mM zinc acetate, 10% (v/v) isopropanol, 40 mg/ml MyulA.01407.a.A1 PS00805, VAPOR DIFFUSION, SITTING DROP, temperature 289K |