5THW
Crystal structure of Amidase, hydantoinase/carbamoylase family from Burkholderia multivorans
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-F |
Synchrotron site | APS |
Beamline | 21-ID-F |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2016-06-08 |
Detector | RAYONIX MX-300 |
Wavelength(s) | 0.97872 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 86.460, 88.510, 126.440 |
Unit cell angles | 90.00, 90.21, 90.00 |
Refinement procedure
Resolution | 39.394 - 2.500 |
R-factor | 0.1564 |
Rwork | 0.155 |
R-free | 0.21220 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5i4m |
RMSD bond length | 0.005 |
RMSD bond angle | 0.735 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | MOLREP |
Refinement software | PHENIX ((1.11rc1_2513: ???)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.560 | |
High resolution limit [Å] | 2.500 | 11.180 | 2.500 |
Rmerge | 0.080 | 0.024 | 0.494 |
Number of reflections | 65364 | ||
<I/σ(I)> | 14.21 | 38.79 | 2.89 |
Completeness [%] | 98.6 | 94.3 | 98.2 |
Redundancy | 3.86 | ||
CC(1/2) | 0.997 | 0.999 | 0.820 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 290 | RigakuReagents JCSG+ screen, B2: 25% PEG 3350, 200mM Sodium thiocyanate; BumuA.12245.e.B1.PW37879 at 19.5mg/ml; cryo: 20% EG; tray 272537b2, puck ujd4-3 |