4NO0

Crystal structure of non-phosphorylated form of RQA_V phosphopeptide bound to HLA-A2 in complex with LILRB1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	100
Detector technology	CCD
Collection date	2009-10-21
Detector	RIGAKU SATURN 944
Wavelength(s)	1.5417
Spacegroup name	P 31 2 1
Unit cell lengths	117.300, 117.300, 96.100
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.325 - 2.700
R-factor	0.2709
Rwork	0.269
R-free	0.30940
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1p7q
RMSD bond length	0.018
RMSD bond angle	1.631
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.325	29.325	2.800
High resolution limit [Å]	2.700	10.000	2.700
Rmerge	0.126	0.042	0.816
Number of reflections	21132	446	2171
<I/σ(I)>	33.28	93.49	6.22
Completeness [%]	98.9	93.7	99.5
Redundancy	36

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	298	18% PEG3350, 0.1 M HEPES, pH 7.4, 0.2 M ammonium acetate, VAPOR DIFFUSION, HANGING DROP, temperature 298K