5Z5M
Crystal structure of (S)-allantoin synthase
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PAL/PLS BEAMLINE 7A (6B, 6C1) |
Synchrotron site | PAL/PLS |
Beamline | 7A (6B, 6C1) |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-12-09 |
Detector | ADSC QUANTUM 270 |
Wavelength(s) | 0.9793 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 65.550, 99.920, 90.180 |
Unit cell angles | 90.00, 109.35, 90.00 |
Refinement procedure
Resolution | 30.924 - 1.850 |
R-factor | 0.2008 |
Rwork | 0.199 |
R-free | 0.23740 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4q14 |
RMSD bond length | 0.004 |
RMSD bond angle | 0.870 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER (2.5.6) |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 52.590 | 52.590 | 1.880 |
High resolution limit [Å] | 1.850 | 10.130 | 1.850 |
Rmerge | 0.150 | 0.080 | 1.190 |
Rmeas | 0.179 | 0.100 | 1.423 |
Rpim | 0.096 | 0.060 | 0.771 |
Total number of observations | 314435 | 1020 | 15345 |
Number of reflections | 93050 | 438 | 4635 |
<I/σ(I)> | 5.9 | 9.9 | 1.1 |
Completeness [%] | 99.6 | 72.1 | 99.9 |
Redundancy | 3.4 | 2.3 | 3.3 |
CC(1/2) | 0.983 | 0.976 | 0.486 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 295 | 0.2 M MgCl2, 0.1 M HEPES (pH 7.0), 20 % (w/v) PEG 6000 |