6VRT
LT1009 humanized antibody Fab fragment in complex with calcium
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 4.2.2 |
Synchrotron site | ALS |
Beamline | 4.2.2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-09-14 |
Detector | NOIR-1 |
Wavelength(s) | 1.00008 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 87.802, 114.408, 133.702 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.231 - 2.555 |
R-factor | 0.2114 |
Rwork | 0.209 |
R-free | 0.25950 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3i9g |
RMSD bond length | 0.012 |
RMSD bond angle | 1.142 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX ((1.14-3260-000)) |
Refinement software | PHENIX ((1.14-3260-000)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.590 |
High resolution limit [Å] | 2.550 | 6.920 | 2.550 |
Number of reflections | 22135 | 1206 | 1107 |
<I/σ(I)> | 23.6 | ||
Completeness [%] | 100.0 | 99.7 | 100 |
Redundancy | 7.3 | 6.9 | 5.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 1 uL 12 mg/mL Fab + 1 uL 0.1 M HEPES sodium, pH 7.5, 1.5 M lithium sulfate monohydrate, 10 mM calcium chloride |