6BWO
LarC2, the C-terminal domain of a cyclometallase involved in the synthesis of the NPN cofactor of lactate racemase, apo form
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-D |
Synchrotron site | APS |
Beamline | 21-ID-D |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-02-11 |
Detector | DECTRIS EIGER X 9M |
Wavelength(s) | 1.127 |
Spacegroup name | P 21 3 |
Unit cell lengths | 96.900, 96.900, 96.900 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.559 - 2.030 |
R-factor | 0.1519 |
Rwork | 0.140 |
R-free | 0.19350 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | in house SAD model |
RMSD bond length | 0.009 |
RMSD bond angle | 0.911 |
Data reduction software | XDS (2.99) |
Data scaling software | Aimless (0.5.32) |
Phasing software | PHASER (2.8.0) |
Refinement software | PHENIX (1.12-2829) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 43.330 | 43.330 | 2.080 |
High resolution limit [Å] | 2.030 | 9.070 | 2.030 |
Rmerge | 0.103 | 0.039 | 0.908 |
Rmeas | 0.112 | 0.043 | 0.992 |
Rpim | 0.044 | 0.017 | 0.395 |
Total number of observations | 124437 | ||
Number of reflections | 19861 | 249 | 1440 |
<I/σ(I)> | 12 | ||
Completeness [%] | 99.6 | 97 | 97.8 |
Redundancy | 6.3 | 5.8 | 6.2 |
CC(1/2) | 0.997 | 0.998 | 0.553 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 294.15 | 0.13 ul ~13 mg/ml LarC (100 mM Tris-HCl pH 7.5, 300 mM NaCl) mixed with 0.13 ul of reservoir solution. Sitting drop reservoir contained 100 ul of 0.15 M DL-Malic acid, 20% w/v Polyethylene glycol 3,350. Crystal grew within a week. The crystal was soaked for 1 minute in 25% Polyethylene glycol 400, 75% reservoir solution. |