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4U1L

HLA class I micropolymorphisms determine peptide-HLA landscape and dictate differential HIV-1 escape through identical epitopes

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsDIAMOND BEAMLINE I03
Synchrotron siteDiamond
BeamlineI03
Temperature [K]100
Detector technologyPIXEL
Collection date2012-06-30
DetectorPSI PILATUS 6M
Wavelength(s)0.9763
Spacegroup nameP 1
Unit cell lengths46.020, 49.060, 107.840
Unit cell angles91.13, 93.53, 95.70
Refinement procedure
Resolution53.800 - 2.060
R-factor0.1746
Rwork0.173
R-free0.20870
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)4i4w
RMSD bond length0.017
RMSD bond angle1.848
Data reduction softwareXDS (0.1.16)
Data scaling softwareAimless (2.1.4)
Phasing softwarePHASER
Refinement softwareREFMAC (5.8.0049)
Data quality characteristics
 OverallInner shellOuter shell
Low resolution limit [Å]53.80053.8002.110
High resolution limit [Å]2.0609.2102.060
Rmerge0.1020.0380.407
Rpim0.0920.0330.367
Total number of observations11235112988241
Number of reflections56594
<I/σ(I)>5.812.52.3
Completeness [%]97.797.896.9
Redundancy22.12
CC(1/2)0.9860.9960.811
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP62910.1 M TRIS pH 8.0, 15% PEG 4000 and 15% glycerol

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