5I8I
Crystal Structure of the K. lactis Urea Amidolyase
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 | 2015-04-11 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.9792 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 105.740, 181.940, 549.820 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.980 - 6.500 |
R-factor | 0.2789 |
Rwork | 0.278 |
R-free | 0.30220 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3va7 4iss |
RMSD bond length | 0.009 |
RMSD bond angle | 1.638 |
Data reduction software | iMOSFLM |
Data scaling software | SCALA (3.3.22) |
Phasing software | PHASER (2.5.6) |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 274.910 | 29.980 | 6.850 |
High resolution limit [Å] | 6.500 | 20.550 | 6.500 |
Rmerge | 0.059 | 0.581 | |
Rmeas | 0.137 | 0.070 | 0.671 |
Rpim | 0.066 | 0.037 | 0.324 |
Total number of observations | 80051 | 1914 | 11920 |
Number of reflections | 20690 | ||
<I/σ(I)> | 8.3 | 19.5 | 2.2 |
Completeness [%] | 95.6 | 67.3 | 97.1 |
Redundancy | 3.9 | 3.7 | 4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 7.5 | 277 | 0.1M Tris/HCl (pH 7.5), 0.2M ammonium sulfate, 12% PEG 8000, 2% PEG 3350 |