9HDB

Sla1 SH3_3 domain (residues 355-414)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P13 (MX1)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-10-22
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9762
Spacegroup name	P 21 21 21
Unit cell lengths	38.533, 50.423, 51.967
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.214 - 1.491
Rwork	0.143
R-free	0.18950
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.015
RMSD bond angle	1.965
Data reduction software	autoPROC
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0430 (refmacat 0.4.88))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	51.970	51.970	1.520
High resolution limit [Å]	1.490	8.160	1.490
Rmerge	0.078	0.071	0.422
Rmeas	0.087	0.080	0.473
Rpim	0.037	0.036	0.211
Number of reflections	17131	139	820
<I/σ(I)>	15.6	24.2	4.8
Completeness [%]	100.0	99.7	99.9
Redundancy	10	7.2	9.3
CC(1/2)	0.998	0.989	0.943

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	292	0.1M HEPES pH 7.5 20% PEG 10000 1mM peptide (PVSTPARTPARTPTP) dissolved in 0.03M HEPES pH 8, 0.15M NaCl, 0.5mM TCEP