3FQR

Phosphorylation of self-peptides alters Human Leukocyte Antigen Class I-restricted antigen presentation and generates tumor specific epitopes

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RUH3R
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2008-07-16
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	59.678, 79.706, 111.558
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.272 - 1.700
R-factor	0.169
Rwork	0.169
R-free	0.18900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3fqw
RMSD bond length	0.005
RMSD bond angle	0.998
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.760
High resolution limit [Å]	1.700	1.700
Rmerge	0.051	0.304
Number of reflections	56798
<I/σ(I)>	26.929	4.3
Completeness [%]	95.7	76.3
Redundancy	7.1	5.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.4	293	13% PEG3350, 5mM CdCl2, 5mM MgCl2, 0.1M NaCl, pH7.4, temperature 293K, VAPOR DIFFUSION, HANGING DROP