5XQY

Structure of monomeric mutant of REI immunoglobulin light chain variable domain crystallized at pH 8

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL26B2
Synchrotron site	SPring-8
Beamline	BL26B2
Temperature [K]	100
Detector technology	CCD
Collection date	2017-05-13
Detector	RAYONIX MX-225
Wavelength(s)	1.000000
Spacegroup name	P 4
Unit cell lengths	130.046, 130.046, 90.055
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	58.158 - 2.900
R-factor	0.2336
Rwork	0.231
R-free	0.28470
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2q20
RMSD bond length	0.005
RMSD bond angle	0.948
Data reduction software	DIALS (v1.4.4)
Data scaling software	Aimless (v0.5.31)
Phasing software	PHASER (v2.7.17)
Refinement software	PHENIX (v1.11.1_2575)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	58.160	3.040
High resolution limit [Å]	2.900	2.900
Rmerge	0.086	0.594
Rpim	0.033	0.227
Number of reflections	33511	4442
<I/σ(I)>	23.6	5.4
Completeness [%]	100.0	100
Redundancy	15.4	15.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	277.15	0.1M Tris-HCl pH 8.0, 2.0M AMMONIUM PHOSPHATE MONOBASIC