4M5T

Disulfide trapped human alphaB crystallin core domain in complex with C-terminal peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2012-10-26
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9791
Spacegroup name	C 1 2 1
Unit cell lengths	117.010, 46.770, 77.710
Unit cell angles	90.00, 117.71, 90.00

Refinement procedure

Resolution	68.799 - 2.000
R-factor	0.1954
Rwork	0.193
R-free	0.24400
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.241
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.8.1_1168)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	68.799		2.050
High resolution limit [Å]	2.000	8.940	2.000
Rmerge	0.059	0.023	0.365
Number of reflections	24867
<I/σ(I)>	14.1	33.71	3.48
Completeness [%]	97.5	98.4	97.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	298	0.085 M MES, pH 6.5, 0.17 M ammonium sulfate, 25.5% PEG5000 MME, 15% glycerol, VAPOR DIFFUSION, HANGING DROP, temperature 298K