7CLZ

Crystal structure of Alp1U W187F/Y247F in complex with fluostatin C

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-06-28
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.97853
Spacegroup name	P 21 21 21
Unit cell lengths	96.664, 100.208, 117.450
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.696 - 2.100
R-factor	0.195874909575
Rwork	0.193
R-free	0.24676
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3r3v
RMSD bond length	0.009
RMSD bond angle	1.172
Data reduction software	XDS (1.9_1692+SVN)
Data scaling software	Aimless (1.9_1692+SVN)
Phasing software	MOLREP
Refinement software	PHENIX (1.9_1692+SVN)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.700	2.175
High resolution limit [Å]	2.100	2.100
Rmerge	0.030	0.188
Number of reflections	67180	13302
<I/σ(I)>	8.58
Completeness [%]	100.0
Redundancy	2
CC(1/2)	0.998	0.943

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION, RECRYSTALLIZATION	5	277	0.1M MMT pH 5.0, 25% PEG 1500