5UWN

Matrix metalloproteinase-13 complexed with selective inhibitor compound 10d

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	CCD
Collection date	2015-11-14
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97918
Spacegroup name	I 41 2 2
Unit cell lengths	131.727, 131.727, 418.722
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	95.800 - 3.200
R-factor	0.1974
Rwork	0.195
R-free	0.23440
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4l19
RMSD bond length	0.011
RMSD bond angle	1.347
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.10_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	125.660	3.370
High resolution limit [Å]	3.200	3.200
Rpim	0.120	0.506
Number of reflections	30172	4397
<I/σ(I)>	7.6	1.9
Completeness [%]	98.2	99.4
Redundancy	5	5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	277	0.1 M HEPES, 1.6 M ammonium sulfate