5XP1

Structure of monomeric mutant of REI immunoglobulin light chain variable domain crystallized at pH 6

Replaces:  5B3C

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL38B1
Synchrotron site	SPring-8
Beamline	BL38B1
Temperature [K]	100
Detector technology	CCD
Collection date	2012-05-27
Detector	ADSC QUANTUM 315
Wavelength(s)	1.0
Spacegroup name	P 4
Unit cell lengths	130.760, 130.760, 92.140
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	17.961 - 2.880
R-factor	0.2588
Rwork	0.257
R-free	0.29720
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2q20
RMSD bond length	0.004
RMSD bond angle	0.937
Data reduction software	iMOSFLM (V7.0.9)
Data scaling software	SCALA (V3.3.20)
Phasing software	MOLREP (V11.0.05)
Refinement software	PHENIX ((1.11_2567: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	17.961	2.930
High resolution limit [Å]	2.880	2.880
Rmerge	0.080	0.519
Number of reflections	35217	5153
<I/σ(I)>	21.3	5
Completeness [%]	100.0	100
Redundancy	10.7	10.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	293.15	0.1M BIS-TRIS pH 6.0, 18% POLYETHYLENE GLYCOL 3350, 0.12M AMMONIUM SULFATE